1-(trans-3-(4-Chlorophenyl)allyl)-perhydroazepin-4-one

HCID 68927305
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Basic information

Standard SMILES
O=C1CCCN(C/C=C/c2ccc(Cl)cc2)CC1
InChIKey
RLSNZNWKIJPXTH-HNQUOIGGSA-N
Molecular formula
C15H18ClNO
Average molar mass
263.76 g/mol
Monoisotopic mass
263.1076919

Names & identifiers

Preferred name
1-(trans-3-(4-Chlorophenyl)allyl)-perhydroazepin-4-one
IUPAC
1-[(E)-3-(4-chlorophenyl)prop-2-enyl]azepan-4-one

Names & synonyms

SCHEMBL4137224RLSNZNWKIJPXTH-HNQUOIGGSA-N1-(trans-3-(4-chlorophenyl)allyl)-perhydroazepin-4-one

Database identifiers

PubChem CID
68927305

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
18

Related reactions

2 records
New reaction record

Linked notes

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