(1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone

C9H12N4O3 — CID 134138491

IUPAC(1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCn1c([N+](=O)[O-])cnc1C(=O)N1CCCC1
InChIInChI=1S/C9H12N4O3/c1-11-7(13(15)16)6-10-8(11)9(14)12-4-2-3-5-12/h6H,2-5H2,1H3
InChIKeyGYJYWIJMNWCIQV-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.56
Rot. Bonds2

About (1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone

(1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 134138491) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is (1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID134138491
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name(1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone
SMILESCn1c([N+](=O)[O-])cnc1C(=O)N1CCCC1
InChIInChI=1S/C9H12N4O3/c1-11-7(13(15)16)6-10-8(11)9(14)12-4-2-3-5-12/h6H,2-5H2,1H3
InChIKeyGYJYWIJMNWCIQV-UHFFFAOYSA-N
XLogP0.56
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.56
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 (1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone 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-Cyclopentyl-2-(2-methyl-5-nitro-imidazol-1-yl)-acetamide
CID 672156
4-(2-methyl-4-nitro-1H-imidazol-1-yl)butan-2-one
CID 2775078
N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]acetamide
CID 12720381
1-Butyl-2-methyl-4-nitro-1H-imidazole
CID 2801466
N-cyclohexyl-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 935604
N,N,1-trimethyl-5-nitroimidazole-2-carboxamide
CID 125500274
N-cyclohexyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134135350
N-cyclopropyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134142541
(5-nitro-1H-imidazol-2-yl)-pyrrolidin-1-ylmethanone
CID 134148544
1-(Cyclopropylmethyl)-4-nitroimidazole-2-carboxamide
CID 134154736
5,6-dimethyl-2-nitroimidazo[1,2-a]pyrazin-8(7H)-one
CID 145998119
7-Cyclohexyl-2-nitroimidazo[1,2-a]pyrazin-8-one
CID 155549113

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone (CID 134138491) is (1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone is Cn1c([N+](=O)[O-])cnc1C(=O)N1CCCC1.
What is the InChIKey of (1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is GYJYWIJMNWCIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-11-7(13(15)16)6-10-8(11)9(14)12-4-2-3-5-12/h6H,2-5H2,1H3.
What are the key properties of (1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone?
(1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 224.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-nitroimidazol-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134138491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).