1-Methyl-1H-pyrrole-2-acetonitrile

C₇H₈N₂CAS 24437-41-0120.16 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₇H₈N₂
Molar mass: 120.16 g/mol
Exact mass: 120.0687 Da
Melting point: 28–29 °C
Boiling point: 90–92 °C (at 1 Torr)
logP: 1.09Crippen estimate
Polar surface area: 28.7 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 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

24437-41-0

SMILES

Cn1cccc1CC#N

InChIKey

ROSYAUHHRKAPHX-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4H2,1H3

Weigh it out

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

Names and synonyms

5 names

1H-Pyrrole-2-acetonitrile, 1-methyl-
Pyrrole-2-acetonitrile, 1-methyl-
1-Methylpyrrole-2-acetonitrile
2-(1-Methyl-pyrrol-2-yl)acetonitrile
2-(1-Methyl-1H-pyrrol-2-yl)acetonitrile

Work with 1-Methyl-1H-pyrrole-2-acetonitrile

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-Methylpyrrole-2-carbonitrile34884-10-147 % similar 1-Methyl-1H-pyrrole-2-acetic acid21898-59-943 % similar Methyl N-methyl-2-pyrrolylacetate51856-79-242 % similar o-Phenylenediacetonitrile613-23-041 % similar 1,2-Benzenediacetonitrile613-73-041 % similar Benzyl cyanide140-29-440 % similar 2-Methylphenylacetonitrile22364-68-738 % similar 1,4-Benzenediacetonitrile622-75-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Dihydro-1H-pyrrolo[2,3-B]pyridine10592-27-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook