(3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate

C11H9N2O5- — CID 6926305

IUPAC(3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C11H10N2O5/c14-10-4-7(11(15)16)6-12(10)8-2-1-3-9(5-8)13(17)18/h1-3,5,7H,4,6H2,(H,15,16)/p-1/t7-/m1/s1
InChIKeyHKWNCNVBEVINPC-SSDOTTSWSA-M
MW249.20 g/mol
LogP-0.30
Rot. Bonds3

About (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate

(3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 6926305) has the molecular formula C11H9N2O5- and a molecular weight of 249.20 g/mol. Its IUPAC name is (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID6926305
Molecular FormulaC11H9N2O5-
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC Name(3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
SMILESO=C([O-])[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1
InChIInChI=1S/C11H10N2O5/c14-10-4-7(11(15)16)6-12(10)8-2-1-3-9(5-8)13(17)18/h1-3,5,7H,4,6H2,(H,15,16)/p-1/t7-/m1/s1
InChIKeyHKWNCNVBEVINPC-SSDOTTSWSA-M
XLogP-0.30
TPSA103.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
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 (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

N,1-bis(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3118870
(3R)-1-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 6945519
methyl 1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate;thionyl dichloride
CID 162016145
(3S)-N-(3,4-dichlorophenyl)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1106036
[2-(4-chlorophenyl)-2-oxoethyl] (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004262
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2433248
(2-oxo-2-thiophen-2-ylethyl) (3S)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004273
[2-(2-chloroanilino)-2-oxoethyl] (3S)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 41110942
[(2S)-1-oxo-1-phenylbutan-2-yl] (3S)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004270
1-(3,4-dimethoxyphenyl)-4-[4-(3-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55742975
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
(3R)-N-(2-methyl-5-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892321

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate (CID 6926305) is (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate is O=C([O-])[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1.
What is the InChIKey of (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is HKWNCNVBEVINPC-SSDOTTSWSA-M. The full InChI is InChI=1S/C11H10N2O5/c14-10-4-7(11(15)16)6-12(10)8-2-1-3-9(5-8)13(17)18/h1-3,5,7H,4,6H2,(H,15,16)/p-1/t7-/m1/s1.
What are the key properties of (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate?
(3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 249.20 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 6926305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).