2-oxocyclohex-3-ene-1-carboxamide

C7H9NO2 — CID 175647214

IUPAC2-oxocyclohex-3-ene-1-carboxamide
SMILESNC(=O)C1CCC=CC1=O
InChIInChI=1S/C7H9NO2/c8-7(10)5-3-1-2-4-6(5)9/h2,4-5H,1,3H2,(H2,8,10)
InChIKeyAIWNSLJWNHZDLB-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.01
Rot. Bonds1

About 2-oxocyclohex-3-ene-1-carboxamide

2-oxocyclohex-3-ene-1-carboxamide (PubChem CID 175647214) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-oxocyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name2-oxocyclohex-3-ene-1-carboxamide
PubChem CID175647214
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2-oxocyclohex-3-ene-1-carboxamide
SMILESNC(=O)C1CCC=CC1=O
InChIInChI=1S/C7H9NO2/c8-7(10)5-3-1-2-4-6(5)9/h2,4-5H,1,3H2,(H2,8,10)
InChIKeyAIWNSLJWNHZDLB-UHFFFAOYSA-N
XLogP0.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexene-1-carboxamide
CID 301015
Asenjonamide B
CID 139589508
2,4-Dimethyl-3-oxonon-4-enamide
CID 162816225
(1S)-cyclohex-3-ene-1-carboxamide
CID 51410670
(E)-2,4-dimethyl-3-oxonon-4-enamide
CID 162816226
3-(4-Oxocyclohex-2-en-1-yl)propanamide
CID 21110355
4-Oxocyclohex-2-ene-1-carboxamide
CID 45084071
(1R)-Cyclohex-3-ene-1-carboxamide
CID 51414851
2-(6-Oxocyclohexa-2,4-dien-1-yl)butanamide
CID 70579441
(E,4R)-4-methyl-3-oxooct-6-enamide
CID 88585823
6-Oxocyclohex-3-ene-1-carboxamide
CID 91590030
6-(Aminomethyl)cyclohex-2-en-1-one
CID 123422276

Frequently Asked Questions

What is the IUPAC name of 2-oxocyclohex-3-ene-1-carboxamide?
The IUPAC name of 2-oxocyclohex-3-ene-1-carboxamide (CID 175647214) is 2-oxocyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 2-oxocyclohex-3-ene-1-carboxamide?
The canonical SMILES for 2-oxocyclohex-3-ene-1-carboxamide is NC(=O)C1CCC=CC1=O.
What is the InChIKey of 2-oxocyclohex-3-ene-1-carboxamide?
The InChIKey is AIWNSLJWNHZDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-7(10)5-3-1-2-4-6(5)9/h2,4-5H,1,3H2,(H2,8,10).
What are the key properties of 2-oxocyclohex-3-ene-1-carboxamide?
2-oxocyclohex-3-ene-1-carboxamide has a molecular weight of 139.15 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxocyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 175647214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).