4-(2-Methyl-5-oxo-1-cyclopenten-1-yl)benzonitrile

HCID 21986159
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Basic information

Standard SMILES
CC1=C(c2ccc(C#N)cc2)C(=O)CC1
InChIKey
CJJGDVPOPXDNRI-UHFFFAOYSA-N
Molecular formula
C13H11NO
Average molar mass
197.23 g/mol

Names & identifiers

Preferred name
4-(2-Methyl-5-oxo-1-cyclopenten-1-yl)benzonitrile
IUPAC
4-(2-methyl-5-oxocyclopenten-1-yl)benzonitrile

Names & synonyms

628731-98-64-(2-Methyl-5-oxo-1-cyclopenten-1-yl)benzonitrileSCHEMBL1339032CJJGDVPOPXDNRI-UHFFFAOYSA-NDB-1228844-(2-methyl-5-oxo-cyclopent-1-enyl)-benzonitrile

Database identifiers

PubChem CID
21986159

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
40.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15

Related reactions

11 records
New reaction record

Compound notes

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