3-hydroxyimino-1,5-diphenylpyrrolidin-2-one

C16H14N2O2 — CID 6800581

IUPAC3-hydroxyimino-1,5-diphenylpyrrolidin-2-one
SMILESO=C1C(=NO)CC(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16-14(17-20)11-15(12-7-3-1-4-8-12)18(16)13-9-5-2-6-10-13/h1-10,15,20H,11H2
InChIKeyYABBQMVESTWNFA-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.99
Rot. Bonds2

About 3-hydroxyimino-1,5-diphenylpyrrolidin-2-one

3-hydroxyimino-1,5-diphenylpyrrolidin-2-one (PubChem CID 6800581) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-hydroxyimino-1,5-diphenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxyimino-1,5-diphenylpyrrolidin-2-one
PubChem CID6800581
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-hydroxyimino-1,5-diphenylpyrrolidin-2-one
SMILESO=C1C(=NO)CC(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C16H14N2O2/c19-16-14(17-20)11-15(12-7-3-1-4-8-12)18(16)13-9-5-2-6-10-13/h1-10,15,20H,11H2
InChIKeyYABBQMVESTWNFA-UHFFFAOYSA-N
XLogP2.99
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-hydroxyimino-1,5-diphenylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyimino-1,5-diphenylpyrrolidin-2-one?
The IUPAC name of 3-hydroxyimino-1,5-diphenylpyrrolidin-2-one (CID 6800581) is 3-hydroxyimino-1,5-diphenylpyrrolidin-2-one.
What is the SMILES notation for 3-hydroxyimino-1,5-diphenylpyrrolidin-2-one?
The canonical SMILES for 3-hydroxyimino-1,5-diphenylpyrrolidin-2-one is O=C1C(=NO)CC(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 3-hydroxyimino-1,5-diphenylpyrrolidin-2-one?
The InChIKey is YABBQMVESTWNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-16-14(17-20)11-15(12-7-3-1-4-8-12)18(16)13-9-5-2-6-10-13/h1-10,15,20H,11H2.
What are the key properties of 3-hydroxyimino-1,5-diphenylpyrrolidin-2-one?
3-hydroxyimino-1,5-diphenylpyrrolidin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyimino-1,5-diphenylpyrrolidin-2-one is sourced from PubChem (CID 6800581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).