1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide

C14H13N3O4 — CID 107681459

IUPAC1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1cccn1C1CC1
InChIInChI=1S/C14H13N3O4/c18-12-5-1-3-10(17(20)21)13(12)15-14(19)11-4-2-8-16(11)9-6-7-9/h1-5,8-9,18H,6-7H2,(H,15,19)
InChIKeyIQATXLFNHLAFGK-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.69
Rot. Bonds4

About 1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide

1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide (PubChem CID 107681459) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide
PubChem CID107681459
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])c1cccn1C1CC1
InChIInChI=1S/C14H13N3O4/c18-12-5-1-3-10(17(20)21)13(12)15-14(19)11-4-2-8-16(11)9-6-7-9/h1-5,8-9,18H,6-7H2,(H,15,19)
InChIKeyIQATXLFNHLAFGK-UHFFFAOYSA-N
XLogP2.69
TPSA97.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-6-nitrophenyl)pyrimidine-5-carboxamide
CID 107681442
N-(2-hydroxy-6-nitrophenyl)-3-methylpiperidine-1-carboxamide
CID 107681482
2-chloro-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681178
3-cyclohexyl-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107681385
3-bromo-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107681117
N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide
CID 107681418
1-cyclopropyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61131105
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
4-(chloromethyl)-N-(2-hydroxy-6-nitrophenyl)benzamide
CID 107679552
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
N-(2-hydroxy-6-nitrophenyl)-1,1-dioxothiane-2-carboxamide
CID 107681277
3-amino-N-(2-hydroxy-6-nitrophenyl)cyclohexane-1-carboxamide
CID 107681022

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide (CID 107681459) is 1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide is O=C(Nc1c(O)cccc1[N+](=O)[O-])c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide?
The InChIKey is IQATXLFNHLAFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-12-5-1-3-10(17(20)21)13(12)15-14(19)11-4-2-8-16(11)9-6-7-9/h1-5,8-9,18H,6-7H2,(H,15,19).
What are the key properties of 1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide?
1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide has a molecular weight of 287.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-hydroxy-6-nitrophenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 107681459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).