4-oxocyclohex-2-ene-1-carboxamide

C7H9NO2 — CID 45084071

IUPAC4-oxocyclohex-2-ene-1-carboxamide
SMILESNC(=O)C1C=CC(=O)CC1
InChIInChI=1S/C7H9NO2/c8-7(10)5-1-3-6(9)4-2-5/h1,3,5H,2,4H2,(H2,8,10)
InChIKeyOSJCHMXOXDSZRV-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.01
Rot. Bonds1

About 4-oxocyclohex-2-ene-1-carboxamide

4-oxocyclohex-2-ene-1-carboxamide (PubChem CID 45084071) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-oxocyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-oxocyclohex-2-ene-1-carboxamide
PubChem CID45084071
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4-oxocyclohex-2-ene-1-carboxamide
SMILESNC(=O)C1C=CC(=O)CC1
InChIInChI=1S/C7H9NO2/c8-7(10)5-1-3-6(9)4-2-5/h1,3,5H,2,4H2,(H2,8,10)
InChIKeyOSJCHMXOXDSZRV-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

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Related Compounds

2-Oxocyclohex-3-ene-1-carboxamide
CID 175647214
3-(4-Oxocyclohex-2-en-1-yl)propanamide
CID 21110355
[2-(5-Oxocyclohex-3-en-1-yl)acetyl]sulfamic acid
CID 57020659
5-Oxooct-6-enamide
CID 123859165
(E)-5-oxooct-6-enamide
CID 144153212
4,6-Dioxocyclohex-2-ene-1-carboxamide
CID 174300181
2-Methyl-5-prop-2-enoylcyclohex-3-ene-1-carboxamide
CID 175933713
ethane;molecular hydrogen;(E)-5-oxooct-6-enamide
CID 178750525
3-Cyclohexene-1-carboxamide, 5-oxo-
CID 55289323
Cyclopent-2-en-1-one;5-methylhexanamide
CID 163194245

Frequently Asked Questions

What is the IUPAC name of 4-oxocyclohex-2-ene-1-carboxamide?
The IUPAC name of 4-oxocyclohex-2-ene-1-carboxamide (CID 45084071) is 4-oxocyclohex-2-ene-1-carboxamide.
What is the SMILES notation for 4-oxocyclohex-2-ene-1-carboxamide?
The canonical SMILES for 4-oxocyclohex-2-ene-1-carboxamide is NC(=O)C1C=CC(=O)CC1.
What is the InChIKey of 4-oxocyclohex-2-ene-1-carboxamide?
The InChIKey is OSJCHMXOXDSZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-7(10)5-1-3-6(9)4-2-5/h1,3,5H,2,4H2,(H2,8,10).
What are the key properties of 4-oxocyclohex-2-ene-1-carboxamide?
4-oxocyclohex-2-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 4-oxocyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 45084071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).