N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide

C10H14N4O3 — CID 63251739

IUPACN-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide
SMILESNC1CCCC1NC(=O)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C10H14N4O3/c11-7-2-1-3-8(7)13-10(15)9-4-6(5-12-9)14(16)17/h4-5,7-8,12H,1-3,11H2,(H,13,15)
InChIKeyMONUDZQNGUZMJI-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.53
Rot. Bonds3

About N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide

N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide (PubChem CID 63251739) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide
PubChem CID63251739
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide
SMILESNC1CCCC1NC(=O)c1cc([N+](=O)[O-])c[nH]1
InChIInChI=1S/C10H14N4O3/c11-7-2-1-3-8(7)13-10(15)9-4-6(5-12-9)14(16)17/h4-5,7-8,12H,1-3,11H2,(H,13,15)
InChIKeyMONUDZQNGUZMJI-UHFFFAOYSA-N
XLogP0.53
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.53
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

4-nitro-N-[(3R)-pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 79689166
N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 120598419
N-[2-(2,4-difluorophenyl)cyclopropyl]-4-nitro-1H-pyrrole-2-carboxamide
CID 127264724
N-[2-(hydroxymethyl)cyclohexyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 106364548
N-[(1R,2R)-2-aminocyclohexyl]-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 93451475
N-[2-(cycloheptylamino)ethyl]-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 119619170
N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
CID 81485746
4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 104955047
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
N-(2-aminocyclopentyl)-3-methoxy-4-nitrobenzamide
CID 104783797
N-(2-aminocyclohexyl)-5-chloro-2-nitrobenzamide
CID 61037362
N-(2-aminocyclopentyl)-2,6-difluoro-3-nitrobenzamide
CID 79773409

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide (CID 63251739) is N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide is NC1CCCC1NC(=O)c1cc([N+](=O)[O-])c[nH]1.
What is the InChIKey of N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is MONUDZQNGUZMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-7-2-1-3-8(7)13-10(15)9-4-6(5-12-9)14(16)17/h4-5,7-8,12H,1-3,11H2,(H,13,15).
What are the key properties of N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide?
N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-4-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63251739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).