3,5-dioxo-N-phenylcyclopentene-1-carboxamide

C12H9NO3 — CID 167537181

IUPAC3,5-dioxo-N-phenylcyclopentene-1-carboxamide
SMILESO=C1C=C(C(=O)Nc2ccccc2)C(=O)C1
InChIInChI=1S/C12H9NO3/c14-9-6-10(11(15)7-9)12(16)13-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,16)
InChIKeyOSSNUFKQEKYPCS-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.09
Rot. Bonds2

About 3,5-dioxo-N-phenylcyclopentene-1-carboxamide

3,5-dioxo-N-phenylcyclopentene-1-carboxamide (PubChem CID 167537181) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3,5-dioxo-N-phenylcyclopentene-1-carboxamide.

Molecular Properties

Compound Name3,5-dioxo-N-phenylcyclopentene-1-carboxamide
PubChem CID167537181
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name3,5-dioxo-N-phenylcyclopentene-1-carboxamide
SMILESO=C1C=C(C(=O)Nc2ccccc2)C(=O)C1
InChIInChI=1S/C12H9NO3/c14-9-6-10(11(15)7-9)12(16)13-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,16)
InChIKeyOSSNUFKQEKYPCS-UHFFFAOYSA-N
XLogP1.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

molecular hydrogen;N-phenylbenzamide
CID 145238042
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
2,5-dioxo-N-phenylcyclopentane-1-carboxamide
CID 75388196
4-methyl-3-oxo-N-phenyl-4H-naphthalene-2-carboxamide
CID 90179586
2-hydroxy-N-phenylbenzamide
CID 157209959
2-(phenylcarbamoyl)cyclohexene-1-carboxylic acid
CID 2812906
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
5,5-dimethylcyclohexane-1,3-dione;N-phenylacetamide
CID 67719434
molecular hydrogen;phenylurea
CID 143657584
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
2-hydroxy-N-phenylbenzamide chloride
CID 19021936

Frequently Asked Questions

What is the IUPAC name of 3,5-dioxo-N-phenylcyclopentene-1-carboxamide?
The IUPAC name of 3,5-dioxo-N-phenylcyclopentene-1-carboxamide (CID 167537181) is 3,5-dioxo-N-phenylcyclopentene-1-carboxamide.
What is the SMILES notation for 3,5-dioxo-N-phenylcyclopentene-1-carboxamide?
The canonical SMILES for 3,5-dioxo-N-phenylcyclopentene-1-carboxamide is O=C1C=C(C(=O)Nc2ccccc2)C(=O)C1.
What is the InChIKey of 3,5-dioxo-N-phenylcyclopentene-1-carboxamide?
The InChIKey is OSSNUFKQEKYPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-9-6-10(11(15)7-9)12(16)13-8-4-2-1-3-5-8/h1-6H,7H2,(H,13,16).
What are the key properties of 3,5-dioxo-N-phenylcyclopentene-1-carboxamide?
3,5-dioxo-N-phenylcyclopentene-1-carboxamide has a molecular weight of 215.21 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dioxo-N-phenylcyclopentene-1-carboxamide is sourced from PubChem (CID 167537181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).