1-[(E)-3-(3-Chloro-phenyl)-acryloyl]-[1,4]diazepan-5-one

HCID 62045248
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Basic information

Standard SMILES
O=C1CCN(C(=O)/C=C/c2cccc(Cl)c2)CCN1
InChIKey
FNXRDTPGYGBJPT-SNAWJCMRSA-N
Molecular formula
C14H15ClN2O2
Average molar mass
278.73 g/mol
Monoisotopic mass
278.0822054

Names & identifiers

Preferred name
1-[(E)-3-(3-Chloro-phenyl)-acryloyl]-[1,4]diazepan-5-one
IUPAC
1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-1,4-diazepan-5-one

Names & synonyms

SCHEMBL1556451FNXRDTPGYGBJPT-SNAWJCMRSA-N1-[(E)-3-(3-Chloro-phenyl)-acryloyl]-[1,4]diazepan-5-one

Database identifiers

PubChem CID
62045248

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
49.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
19

Related reactions

6 records
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Compound notes

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