4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide

C9H12N4O3 — CID 79689166

IUPAC4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@@H]1CCNC1)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C9H12N4O3/c14-9(12-6-1-2-10-4-6)8-3-7(5-11-8)13(15)16/h3,5-6,10-11H,1-2,4H2,(H,12,14)/t6-/m1/s1
InChIKeyFKYNVJWPHHCUMW-ZCFIWIBFSA-N
MW224.22 g/mol
LogP0.01
Rot. Bonds3

About 4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide

4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 79689166) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID79689166
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(N[C@@H]1CCNC1)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C9H12N4O3/c14-9(12-6-1-2-10-4-6)8-3-7(5-11-8)13(15)16/h3,5-6,10-11H,1-2,4H2,(H,12,14)/t6-/m1/s1
InChIKeyFKYNVJWPHHCUMW-ZCFIWIBFSA-N
XLogP0.01
TPSA100.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.01
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 120598419
N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 63251739
4-nitro-N-(2-piperazin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 43600166
N-[2-(cycloheptylamino)ethyl]-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 119619170
4-nitro-1-propan-2-yl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
CID 62378968
1-(2,6-dichloro-4-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451296
4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104955047
2-methyl-5-nitro-N-piperidin-3-ylpyridine-3-carboxamide
CID 119427651
1-(4-nitrophenyl)-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685398
4-tert-butyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 119453941
5-nitro-N-[(3R)-piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 113436670
4-methyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55068272

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide (CID 79689166) is 4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide is O=C(N[C@@H]1CCNC1)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of 4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is FKYNVJWPHHCUMW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N4O3/c14-9(12-6-1-2-10-4-6)8-3-7(5-11-8)13(15)16/h3,5-6,10-11H,1-2,4H2,(H,12,14)/t6-/m1/s1.
What are the key properties of 4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 224.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 79689166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).