2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

C12H12N2O5 — CID 25014708

IUPAC2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12N2O5/c15-11(13-10-5-6-19-12(10)16)7-8-1-3-9(4-2-8)14(17)18/h1-4,10H,5-7H2,(H,13,15)/t10-/m0/s1
InChIKeyFKWJNVQXRLPCPN-JTQLQIEISA-N
MW264.24 g/mol
LogP0.57
Rot. Bonds4

About 2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide

2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (PubChem CID 25014708) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
PubChem CID25014708
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C12H12N2O5/c15-11(13-10-5-6-19-12(10)16)7-8-1-3-9(4-2-8)14(17)18/h1-4,10H,5-7H2,(H,13,15)/t10-/m0/s1
InChIKeyFKWJNVQXRLPCPN-JTQLQIEISA-N
XLogP0.57
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide 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 2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide (CID 25014708) is 2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)N[C@H]1CCOC1=O.
What is the InChIKey of 2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
The InChIKey is FKWJNVQXRLPCPN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12N2O5/c15-11(13-10-5-6-19-12(10)16)7-8-1-3-9(4-2-8)14(17)18/h1-4,10H,5-7H2,(H,13,15)/t10-/m0/s1.
What are the key properties of 2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide?
2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide has a molecular weight of 264.24 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide is sourced from PubChem (CID 25014708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).