1-Methylpyrrole-2-carbonitrile

C₆H₆N₂CAS 34884-10-1106.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆N₂
Molar mass: 106.13 g/mol
Exact mass: 106.0531 Da
logP: 0.90Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

34884-10-1

SMILES

CN1C=CC=C1C#N

InChIKey

JRQSGIQEBOZPHK-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2/c1-8-4-2-3-6(8)5-7/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Methylpyrrole-2-carbonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Methyl-1H-pyrrole-2-acetonitrile24437-41-047 % similar 1-Amino-1H-pyrrole-2-carbonitrile hydrochloride937046-97-447 % similar 1,1-Dimethylethyl N-(2-cyano-1H-pyrrol-1-yl)carbamate937046-96-341 % similar 1-Methyl-2(1H)-pyridinone694-85-940 % similar 1-Methyl-1H-imidazole-4,5-dicarbonitrile19485-35-939 % similar 1-Methyl-1H-pyrrole-2-carboxaldehyde1192-58-139 % similar 1-Methylindole603-76-935 % similar 2-Acetyl-1-methylpyrrole932-16-135 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Hexenedinitrile1119-85-3 Isopropylidenemalononitrile13166-10-4 2-Methyleneglutaronitrile1572-52-7 Vinylpyrazine4177-16-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook