3-Methylenecyclobutanecarbonitrile

C₆H₇NCAS 15760-35-793.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₇N
Molar mass: 93.13 g/mol
Exact mass: 93.0578 Da
Boiling point: 64–65 °C (at 21 Torr)
logP: 1.48Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor92.9% of notifiers
H301 Toxic if swallowed95.2% of notifiers
H312+H332 Harmful in contact with skin or if inhaled92.9% of notifiers
H312 Harmful in contact with skin97.6% of notifiers
H315 Causes skin irritation92.9% of notifiers
H317 May cause an allergic skin reaction92.9% of notifiers
H319 Causes serious eye irritation92.9% of notifiers
H332 Harmful if inhaled97.6% of notifiers
H335 May cause respiratory irritation92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

15760-35-7

SMILES

C=C1CC(C#N)C1

InChIKey

ZRWMAMOBIQQJSA-UHFFFAOYSA-N

InChI

InChI=1S/C6H7N/c1-5-2-6(3-5)4-7/h6H,1-3H2

Weigh it out

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

Names and synonyms

6 names

Cyclobutanecarbonitrile, 3-methylene-
3-Methylene-1-cyanocyclobutane
3-Methylenecyanocyclobutane
3-Methylenecyclobutane-1-carbonitrile
3-Methylidenecyclobutane-1-carbonitrile
3-Methylidenecyclobutanecarbonitrile

Work with 3-Methylenecyclobutanecarbonitrile

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

3-Oxocyclobutane-1-carbonitrile20249-16-550 % similar 3-(Cyanomethylene)cyclobutanecarbonitrile1153949-98-444 % similar Cyclopropyl cyanide5500-21-043 % similar Cyclopentanecarbonitrile4254-02-839 % similar Cyclobutanecarbonitrile4426-11-339 % similar Cyclohexanecarbonitrile766-05-238 % similar 4-Oxocyclohexane-1-carbonitrile34916-10-436 % similar Tetrahydro-2H-pyran-4-carbonitrile4295-99-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methylpyridine108-89-4 3-Methylpyridine108-99-6 2-Methylpyridine109-06-8 2-Methylpyridine1333-41-1 5-Hexynenitrile14918-21-9 Polyaniline25233-30-1 Benzen-2,3,4,5,6-d5-amine4165-61-1 Aniline62-53-3

Elsewhere

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