Basic information
- Standard SMILES
CN1CC=C(Cc2ccc([N+](=O)[O-])cc2)CC1- InChIKey
BUFCNFXRGDNPBC-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- 1-Methyl-4-(4-nitro-benzyl)-1,2,3,6-tetrahydro-pyridine
- IUPAC
- 1-methyl-4-[(4-nitrophenyl)methyl]-3,6-dihydro-2H-pyridine
Names & synonyms
442846-98-2SCHEMBL1654974BUFCNFXRGDNPBC-UHFFFAOYSA-NDA-058191-Methyl-4-(4-nitro-benzyl)-1,2,3,6-tetrahydro-pyridine
Database identifiers
- PubChem CID
- 22249202
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 301
Related reactions
3 records
Compound notes
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