2-(1-Methyl-3-oxobut-1-enylamino)benzonitrile

HCID 672298
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Basic information

Standard SMILES
CC(=O)C=C(C)Nc1ccccc1C#N
InChIKey
JMHQMRVQXICDKM-UHFFFAOYSA-N
Molecular formula
C12H12N2O
Average molar mass
200.24 g/mol

Names & identifiers

Preferred name
2-(1-Methyl-3-oxobut-1-enylamino)benzonitrile
IUPAC
2-(4-oxopent-2-en-2-ylamino)benzonitrile

Names & synonyms

SCHEMBL6653070JMHQMRVQXICDKM-UHFFFAOYSA-N2-(1-methyl-3-oxobut-1-enylamino)benzonitrile

Database identifiers

PubChem CID
672298

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
52.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
15

Related reactions

1 records
New reaction record

Compound notes

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