2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone

HCID 321990

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 66075-42-1
Standard SMILES: CN1CCCC1=CC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey: KCWXNRHHVYSFJG-UHFFFAOYSA-N
Molecular formula: C13H14N2O3
Average molar mass: 246.26 g/mol
Monoisotopic mass: 246.10044231

Names & identifiers

Preferred name: 2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone
IUPAC: 2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone

Names & synonyms

66075-42-1(E)-2-(1-Methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanone2-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethanoneDTXSID10313794DS-0076232-(1-methylpyrrolidin-2-ylidene)-1-(4-nitrophenyl)ethan-1-oneETHANONE,2-(1-METHYL-2-PYRROLIDINYLIDENE)-1-(4-NITROPHENYL)-

Database identifiers

CAS: 66075-42-1
PubChem CID: 321990
DTXSID: DTXSID10313794

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 18
Formal charge: 0
Complexity: 365

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…