1-(2-nitrophenyl)pyrrole-2-carboxamide

C11H9N3O3 — CID 172778071

IUPAC1-(2-nitrophenyl)pyrrole-2-carboxamide
SMILESNC(=O)c1cccn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O3/c12-11(15)10-6-3-7-13(10)8-4-1-2-5-9(8)14(16)17/h1-7H,(H2,12,15)
InChIKeyNWKKKWSMVGJQSP-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.48
Rot. Bonds3

About 1-(2-nitrophenyl)pyrrole-2-carboxamide

1-(2-nitrophenyl)pyrrole-2-carboxamide (PubChem CID 172778071) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 1-(2-nitrophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2-nitrophenyl)pyrrole-2-carboxamide
PubChem CID172778071
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name1-(2-nitrophenyl)pyrrole-2-carboxamide
SMILESNC(=O)c1cccn1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H9N3O3/c12-11(15)10-6-3-7-13(10)8-4-1-2-5-9(8)14(16)17/h1-7H,(H2,12,15)
InChIKeyNWKKKWSMVGJQSP-UHFFFAOYSA-N
XLogP1.48
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
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

ethane;1-[1-(2-nitrophenyl)pyrrol-2-yl]ethanone;prop-1-ene
CID 90730072
methyl 2-[[1-(2-nitrophenyl)pyrrole-2-carbonyl]amino]benzoate
CID 101355061
ethyl 1-(4-methyl-2-nitrophenyl)pyrrole-2-carboxylate
CID 170872126
1-(5-chloro-2-nitrophenyl)pyrrole-2-carbohydrazide
CID 101076119
2,2,2-trifluoro-1-[1-(4-methyl-2-nitrophenyl)pyrrol-2-yl]ethanone
CID 2742071
1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole
CID 150782131
1-(2-nitrophenyl)imidazole-4-carboxamide
CID 97178913
[(N'-methylcarbamimidoyl)amino]-methylidene-[1-(2-nitrophenyl)pyrrol-2-yl]azanium
CID 91241973
2-methyl-1-[[1-(2-nitrophenyl)pyrrol-2-yl]methylideneamino]guanidine
CID 74831606
1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine
CID 171774724
sodium;2-nitrobenzamide;chloride;hydrochloride
CID 67948148
2-amino-1-[3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]guanidine;formic acid
CID 175837601

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-(2-nitrophenyl)pyrrole-2-carboxamide (CID 172778071) is 1-(2-nitrophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-(2-nitrophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-(2-nitrophenyl)pyrrole-2-carboxamide is NC(=O)c1cccn1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-nitrophenyl)pyrrole-2-carboxamide?
The InChIKey is NWKKKWSMVGJQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-11(15)10-6-3-7-13(10)8-4-1-2-5-9(8)14(16)17/h1-7H,(H2,12,15).
What are the key properties of 1-(2-nitrophenyl)pyrrole-2-carboxamide?
1-(2-nitrophenyl)pyrrole-2-carboxamide has a molecular weight of 231.21 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 172778071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).