2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide

C15H18N4O4 — CID 78877015

IUPAC2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O4/c20-14(16-10-6-7-10)13-5-2-8-18(13)15(21)17-11-3-1-4-12(9-11)19(22)23/h1,3-4,9-10,13H,2,5-8H2,(H,16,20)(H,17,21)
InChIKeyRKLVLJCZNUUVOP-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.87
Rot. Bonds4

About 2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide

2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 78877015) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID78877015
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H18N4O4/c20-14(16-10-6-7-10)13-5-2-8-18(13)15(21)17-11-3-1-4-12(9-11)19(22)23/h1,3-4,9-10,13H,2,5-8H2,(H,16,20)(H,17,21)
InChIKeyRKLVLJCZNUUVOP-UHFFFAOYSA-N
XLogP1.87
TPSA104.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide 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

(2R)-1-[(3-nitrophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 29286120
(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
(2S)-2-N-cyclopentyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1468810
(2S)-2-N-cyclopentyl-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1433458
2-(3-hydroxypropyl)-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 62468286
(2R)-N-(3-nitrophenyl)-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97257335
N-(3-nitrophenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 24626868
(2S)-N-(3-nitrophenyl)-2-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 97257336
(2S)-1-(3,4-dichlorobenzoyl)-N-(3-nitrophenyl)pyrrolidine-2-carboxamide
CID 51937572
(2R)-1-(2-chloro-4-nitrobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 94061702
(2S)-N-methyl-1-[2-[(3-nitrophenyl)carbamoylamino]acetyl]pyrrolidine-2-carboxamide
CID 95149524
4-[(3-nitrophenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82902217

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide (CID 78877015) is 2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide is O=C(NC1CC1)C1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is RKLVLJCZNUUVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c20-14(16-10-6-7-10)13-5-2-8-18(13)15(21)17-11-3-1-4-12(9-11)19(22)23/h1,3-4,9-10,13H,2,5-8H2,(H,16,20)(H,17,21).
What are the key properties of 2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide?
2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 318.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-1-N-(3-nitrophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 78877015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).