1,2,5-Trimethyl-1H-pyrrole-3-carbaldehyde - CAS 5449-87-6

Catalog:	BB028700
Product Name:	1,2,5-Trimethyl-1H-pyrrole-3-carbaldehyde
CAS:	5449-87-6
Synonyms:	1,2,5-trimethylpyrrole-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	1,2,5-trimethylpyrrole-3-carbaldehyde
Description:	1,2,5-Trimethyl-1H-pyrrole-3-carbaldehyde (CAS# 5449-87-6) is a useful research chemical.
Molecular Weight:	137.18
Molecular Formula:	C8H11NO
Canonical SMILES:	CC1=CC(=C(N1C)C)C=O
InChI:	InChI=1S/C8H11NO/c1-6-4-8(5-10)7(2)9(6)3/h4-5H,1-3H3
InChI Key:	QCRYBEPPXKKXEW-UHFFFAOYSA-N
Boiling Point:	242.6 °C at 760 mmHg
Purity:	95 %
Density:	0.99 g/cm³
MDL:	MFCD02629633
LogP:	1.45440

Publication Number	Title	Priority Date
EP-2714648-B1	Neprilysin inhibitors	20110531
EP-2049541-A2	Fused heterocyclic derivative and use thereof	20060804
US-2009137595-A1	Fused heterocyclic derivative and use thereof	20060804
US-2009306374-A1	Fused heterocyclic derivative and use thereof	20060804
US-2010168424-A1	Fused heterocyclic derivative and use thereof	20060804

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Related Functional Groups

Pyrroles

[78540-03-1]
1-phenyl-1H-pyrrole-2-carboxylic acid
[1375064-62-2]
Ethyl 2-Bromopyrrole-1-carboxylate
[1263208-95-2]
Ethyl 3-methyl-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carboxylate
[31894-56-1]
Ethyl 5-methyl-3-(thiophen-2-yl)-1H-pyrrole-2-carboxylate
[1175521-35-3]
Farinomalein
[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

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Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.084063974
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	137.084063974
Rotatable Bond Count:	1
Topological Polar Surface Area:	22
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9