1,2-dimethyl-1H-pyrrole-3-carbaldehyde - CAS 1354783-99-5

Catalog:	BB008179
Product Name:	1,2-dimethyl-1H-pyrrole-3-carbaldehyde
CAS:	1354783-99-5
Synonyms:	1,2-dimethyl-3-pyrrolecarboxaldehyde; 1,2-dimethylpyrrole-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	1,2-dimethylpyrrole-3-carbaldehyde
Description:	1,2-dimethyl-1H-pyrrole-3-carbaldehyde (CAS# 1354783-99-5 ) is a useful research chemical.
Molecular Weight:	123.155
Molecular Formula:	C7H9NO
Canonical SMILES:	CC1=C(C=CN1C)C=O
InChI:	InChI=1S/C7H9NO/c1-6-7(5-9)3-4-8(6)2/h3-5H,1-2H3
InChI Key:	DRUQIAINQASWEO-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2014210159-A1	Methods of modulating cftr activity	20130626
WO-2013111831-A1	Pyrrole compound	20120125
EP-1844020-A1	Heterocyclic carboxamide compounds as steroid nuclear receptor ligands	20050110
WO-2006076202-A1	Heterocyclic carboxamide compounds as steroid nuclear receptors ligands	20050110
CA-2511646-A1	Thiosemicarbazones as anti-virals and immunopotentiators	20021227

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Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.068413911
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	123.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	22
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5