1,5-Dimethyl-2-pyrrolecarbonitrile - CAS 56341-36-7

Catalog:	BB029330
Product Name:	1,5-Dimethyl-2-pyrrolecarbonitrile
CAS:	56341-36-7
Synonyms:	1,5-dimethylpyrrole-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	1,5-dimethylpyrrole-2-carbonitrile
Description:	1,5-Dimethyl-2-pyrrolecarbonitrile (CAS# 56341-36-7) is a useful research chemical.
Molecular Weight:	120.15
Molecular Formula:	C7H8N2
Canonical SMILES:	CC1=CC=C(N1C)C#N
InChI:	InChI=1S/C7H8N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,1-2H3
InChI Key:	DRXOPQFEWDRGKT-UHFFFAOYSA-N
Boiling Point:	238.9 °C at 760 mmHg
Density:	0.98 g/cm³
Appearance:	Brown-grey crystalline powder
MDL:	MFCD00003086
LogP:	1.20518

Publication Number	Title	Priority Date
CN-111410624-A	Asymmetric naphthalene-pyrrole hybrid diarylethene compound and application thereof	20200109
WO-2021126693-A1	Gem-disubstituted piperidine melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof	20191218
WO-2021100699-A1	Black particles, black coating material, coating film, and black matrix for color filters	20191118
WO-2021007477-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20190711
WO-2020234480-A1	(r)-3-(chloro-5-fluoro-2-((4-(1h-pyrazol-1-yl)-2-methylquinolin-8-yloxy)methyl)phenyl)morpholine derivatives and related compounds as bradykinin (bk) b2 receptor antagonist for treating skin diseases	20190523

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Related Functional Groups

Pyrroles

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tert-Butyl 3-amino-4-cyano-2,5-dihydro-1H-pyrrole-1-carboxylate
[1375064-62-2]
Ethyl 2-Bromopyrrole-1-carboxylate
[433267-55-1]
Ethyl 4-bromopyrrole-2-carboxylate
[1290536-79-6]
1,1-Dimethylethyl N-[(5S,8S,10aR)-8-[[(diphenylmethyl)amino]carbonyl]decahydro-3-(3-methyl-1-oxobutyl)-6-oxopyrrolo[1,2-a][1,5]diazocin-5-yl]carbamate
[473401-82-0]
1-(tert-Butyl) 2,5-dimethyl 1H-pyrrole-1,2,5-tricarboxylate
[73286-71-2]
N-Boc-2,3-dihydro-1H-pyrrole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.068748264
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	120.068748264
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1