2,5-dioxo-N-phenylcyclopentane-1-carboxamide

C12H11NO3 — CID 75388196

IUPAC2,5-dioxo-N-phenylcyclopentane-1-carboxamide
SMILESO=C1CCC(=O)C1C(=O)Nc1ccccc1
InChIInChI=1S/C12H11NO3/c14-9-6-7-10(15)11(9)12(16)13-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,13,16)
InChIKeyIHNPRFMLPUUXJV-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.17
Rot. Bonds2

About 2,5-dioxo-N-phenylcyclopentane-1-carboxamide

2,5-dioxo-N-phenylcyclopentane-1-carboxamide (PubChem CID 75388196) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2,5-dioxo-N-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2,5-dioxo-N-phenylcyclopentane-1-carboxamide
PubChem CID75388196
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2,5-dioxo-N-phenylcyclopentane-1-carboxamide
SMILESO=C1CCC(=O)C1C(=O)Nc1ccccc1
InChIInChI=1S/C12H11NO3/c14-9-6-7-10(15)11(9)12(16)13-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,13,16)
InChIKeyIHNPRFMLPUUXJV-UHFFFAOYSA-N
XLogP1.17
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S)-2,4-dioxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 1249039
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
2-oxo-N-phenyl-1,3-dihydroindole-3-carboxamide
CID 134112326
3-methyl-N-phenylcyclobutane-1-carboxamide
CID 121011883
N-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
6-oxo-N-phenyldiazinane-3-carboxamide
CID 78211041
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
(1R,2S,3R,4S)-2-N,3-N-diphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 11897377
3-oxo-N-phenyl-1,2-dihydroindene-1-carboxamide
CID 154839553
1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139586
(5R)-N-phenyl-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 175368389
(2R,3S)-3-(phenylcarbamoyl)bicyclo[2.2.2]octane-2-carboxylic acid
CID 1400202

Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-N-phenylcyclopentane-1-carboxamide?
The IUPAC name of 2,5-dioxo-N-phenylcyclopentane-1-carboxamide (CID 75388196) is 2,5-dioxo-N-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for 2,5-dioxo-N-phenylcyclopentane-1-carboxamide?
The canonical SMILES for 2,5-dioxo-N-phenylcyclopentane-1-carboxamide is O=C1CCC(=O)C1C(=O)Nc1ccccc1.
What is the InChIKey of 2,5-dioxo-N-phenylcyclopentane-1-carboxamide?
The InChIKey is IHNPRFMLPUUXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-9-6-7-10(15)11(9)12(16)13-8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,13,16).
What are the key properties of 2,5-dioxo-N-phenylcyclopentane-1-carboxamide?
2,5-dioxo-N-phenylcyclopentane-1-carboxamide has a molecular weight of 217.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-N-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 75388196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).