(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone

C11H8N2O4 — CID 141362308

IUPAC(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone
SMILESO=C(c1cccc([N+](=O)[O-])c1O)n1cccc1
InChIInChI=1S/C11H8N2O4/c14-10-8(4-3-5-9(10)13(16)17)11(15)12-6-1-2-7-12/h1-7,14H
InChIKeyNPVCJQDNMLZZOV-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.79
Rot. Bonds2

About (2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone

(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone (PubChem CID 141362308) has the molecular formula C11H8N2O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is (2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone
PubChem CID141362308
Molecular FormulaC11H8N2O4
Molecular Weight232.20 g/mol
Exact Mass232.05
IUPAC Name(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone
SMILESO=C(c1cccc([N+](=O)[O-])c1O)n1cccc1
InChIInChI=1S/C11H8N2O4/c14-10-8(4-3-5-9(10)13(16)17)11(15)12-6-1-2-7-12/h1-7,14H
InChIKeyNPVCJQDNMLZZOV-UHFFFAOYSA-N
XLogP1.79
TPSA85.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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azanium 2-carbamoyl-3-nitrobenzoate
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(2-hydroxy-3-nitrophenyl)-spiro[2H-indole-3,1'-cyclopropane]-1-ylmethanone
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2-(2-hydroxy-3-nitrophenyl)benzoic acid
CID 150610038
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone
CID 99628395
1-(2-hydroxy-3-nitrobenzoyl)-N-methylpyrrolidine-2-carboxamide
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N-(1,3-dihydroisoindol-2-yl)-2-hydroxy-3-nitrobenzamide
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[(3R)-3-cyclopropylmorpholin-4-yl]-(2-hydroxy-3-nitrophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone?
The IUPAC name of (2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone (CID 141362308) is (2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone.
What is the SMILES notation for (2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone?
The canonical SMILES for (2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone is O=C(c1cccc([N+](=O)[O-])c1O)n1cccc1.
What is the InChIKey of (2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone?
The InChIKey is NPVCJQDNMLZZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4/c14-10-8(4-3-5-9(10)13(16)17)11(15)12-6-1-2-7-12/h1-7,14H.
What are the key properties of (2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone?
(2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone has a molecular weight of 232.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-nitrophenyl)-pyrrol-1-ylmethanone is sourced from PubChem (CID 141362308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).