6-oxocyclohex-3-ene-1-carboxamide

C7H9NO2 — CID 91590030

IUPAC6-oxocyclohex-3-ene-1-carboxamide
SMILESNC(=O)C1CC=CCC1=O
InChIInChI=1S/C7H9NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-2,5H,3-4H2,(H2,8,10)
InChIKeyFHOKYGTYKTZWAV-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.01
Rot. Bonds1

About 6-oxocyclohex-3-ene-1-carboxamide

6-oxocyclohex-3-ene-1-carboxamide (PubChem CID 91590030) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 6-oxocyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name6-oxocyclohex-3-ene-1-carboxamide
PubChem CID91590030
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name6-oxocyclohex-3-ene-1-carboxamide
SMILESNC(=O)C1CC=CCC1=O
InChIInChI=1S/C7H9NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-2,5H,3-4H2,(H2,8,10)
InChIKeyFHOKYGTYKTZWAV-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxocyclohex-3-ene-1-carboxamide?
The IUPAC name of 6-oxocyclohex-3-ene-1-carboxamide (CID 91590030) is 6-oxocyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 6-oxocyclohex-3-ene-1-carboxamide?
The canonical SMILES for 6-oxocyclohex-3-ene-1-carboxamide is NC(=O)C1CC=CCC1=O.
What is the InChIKey of 6-oxocyclohex-3-ene-1-carboxamide?
The InChIKey is FHOKYGTYKTZWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-2,5H,3-4H2,(H2,8,10).
What are the key properties of 6-oxocyclohex-3-ene-1-carboxamide?
6-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 6-oxocyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 91590030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).