4-(2-Oxopiperidinomethyl)-nitrobenzene

HCID 18005657
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Basic information

Standard SMILES
O=C1CCCCN1Cc1ccc([N+](=O)[O-])cc1
InChIKey
SGCUEOFKNKUQEI-UHFFFAOYSA-N
Molecular formula
C12H14N2O3
Average molar mass
234.25 g/mol
Monoisotopic mass
234.10044231

Names & identifiers

Preferred name
4-(2-Oxopiperidinomethyl)-nitrobenzene
IUPAC
1-[(4-nitrophenyl)methyl]piperidin-2-one

Names & synonyms

SCHEMBL5625428SGCUEOFKNKUQEI-UHFFFAOYSA-N4-(2-oxopiperidinomethyl)-nitrobenzene

Database identifiers

PubChem CID
18005657
Nikkaji
J3.642.727B

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
66.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

4 records
New reaction record

Compound notes

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