N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide

C11H16N4O3 — CID 81485746

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
SMILESCC(CN)(NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1
InChIInChI=1S/C11H16N4O3/c1-11(6-12,7-2-3-7)14-10(16)9-4-8(5-13-9)15(17)18/h4-5,7,13H,2-3,6,12H2,1H3,(H,14,16)
InChIKeyWYANLANUZFUKKT-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.78
Rot. Bonds5

About N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide

N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide (PubChem CID 81485746) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
PubChem CID81485746
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
SMILESCC(CN)(NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1
InChIInChI=1S/C11H16N4O3/c1-11(6-12,7-2-3-7)14-10(16)9-4-8(5-13-9)15(17)18/h4-5,7,13H,2-3,6,12H2,1H3,(H,14,16)
InChIKeyWYANLANUZFUKKT-UHFFFAOYSA-N
XLogP0.78
TPSA114.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.78
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-(1-amino-2,4-dimethylpentan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
CID 81485800
N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 115307722
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
CID 113354459
N-(1-amino-2-cyclopropylpropan-2-yl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297765
N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119574662
N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide
CID 119575430
N-(1-amino-2-cyclopropylpropan-2-yl)-6-oxo-1H-pyrazine-3-carboxamide
CID 113283485
N-(1-amino-2-cyclopropylpropan-2-yl)-4-thiomorpholin-4-ylsulfonyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119575429
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-3-nitrobenzamide
CID 81486449
N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrothiophene-2-carboxamide;hydrochloride
CID 119575653
N-(1-amino-2-cyclopropylpropan-2-yl)-5-nitrofuran-2-carboxamide;hydrochloride
CID 119573183
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide
CID 115737293

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide (CID 81485746) is N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide is CC(CN)(NC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is WYANLANUZFUKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(6-12,7-2-3-7)14-10(16)9-4-8(5-13-9)15(17)18/h4-5,7,13H,2-3,6,12H2,1H3,(H,14,16).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 81485746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).