1,4-dimethylcyclohex-3-ene-1-carboxamide

C9H15NO — CID 3052839

IUPAC1,4-dimethylcyclohex-3-ene-1-carboxamide
SMILESCC1=CCC(C)(C(N)=O)CC1
InChIInChI=1S/C9H15NO/c1-7-3-5-9(2,6-4-7)8(10)11/h3H,4-6H2,1-2H3,(H2,10,11)
InChIKeyUFRHTADWHNZOHK-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds1

About 1,4-dimethylcyclohex-3-ene-1-carboxamide

1,4-dimethylcyclohex-3-ene-1-carboxamide (PubChem CID 3052839) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,4-dimethylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name1,4-dimethylcyclohex-3-ene-1-carboxamide
PubChem CID3052839
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,4-dimethylcyclohex-3-ene-1-carboxamide
SMILESCC1=CCC(C)(C(N)=O)CC1
InChIInChI=1S/C9H15NO/c1-7-3-5-9(2,6-4-7)8(10)11/h3H,4-6H2,1-2H3,(H2,10,11)
InChIKeyUFRHTADWHNZOHK-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methylcyclohex-3-ene-1-carboximidic acid
CID 3052840
3,7-Dimethyl-6-octenamide
CID 3704098
Cyclohex-2-en-acetamide
CID 14143177
(s)-(-)-Citronellamide
CID 57428030
n-Butyl-diallylacetamid
CID 87126840
6-Fluoro-4-methylcyclohex-3-ene-1-carboxamide
CID 89642575
5,5-Difluoro-1-methylcyclohex-2-ene-1-carboxamide
CID 176148748
2-(Cyclohex-1-en-1-yl)butanamide
CID 294647
4-Prop-1-en-2-ylcyclohexene-1-carboxamide
CID 10103498
(1S)-1-fluoro-6,6-dimethylcyclohept-3-ene-1-carboxamide
CID 177059224
2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetamide
CID 316196
2,2,3-Trimethylcyclopent-3-ene-1-carboxamide
CID 23239819

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 1,4-dimethylcyclohex-3-ene-1-carboxamide (CID 3052839) is 1,4-dimethylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 1,4-dimethylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 1,4-dimethylcyclohex-3-ene-1-carboxamide is CC1=CCC(C)(C(N)=O)CC1.
What is the InChIKey of 1,4-dimethylcyclohex-3-ene-1-carboxamide?
The InChIKey is UFRHTADWHNZOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-3-5-9(2,6-4-7)8(10)11/h3H,4-6H2,1-2H3,(H2,10,11).
What are the key properties of 1,4-dimethylcyclohex-3-ene-1-carboxamide?
1,4-dimethylcyclohex-3-ene-1-carboxamide has a molecular weight of 153.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 3052839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).