6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide

C12H19NO2 — CID 58728594

IUPAC6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCC(=O)C1CC=CCC1C(=O)NC(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)13-12(15)11-7-5-4-6-10(11)9(3)14/h4-5,8,10-11H,6-7H2,1-3H3,(H,13,15)
InChIKeyNEWFBDXLKJLFHK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.68
Rot. Bonds3

About 6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide

6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide (PubChem CID 58728594) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide
PubChem CID58728594
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide
SMILESCC(=O)C1CC=CCC1C(=O)NC(C)C
InChIInChI=1S/C12H19NO2/c1-8(2)13-12(15)11-7-5-4-6-10(11)9(3)14/h4-5,8,10-11H,6-7H2,1-3H3,(H,13,15)
InChIKeyNEWFBDXLKJLFHK-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-isopropyl alpha-methylarachidonoyl amine
CID 5283418
2-[4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]-N-propan-2-ylacetamide
CID 44562697
N-cyclohexyl-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 39969360
(1S)-N-cycloheptylcyclohex-3-ene-1-carboxamide
CID 51926176
(1R,2S)-1-N,2-N-di(cyclohex-2-en-1-yl)cyclohex-4-ene-1,2-dicarboxamide
CID 75432041
N,N'-di(cyclohex-2-en-1-yl)-2,3-dimethylbutanediamide
CID 119035220
2-ethyl-N-(2-fluorocyclohex-2-en-1-yl)pentanamide
CID 157204878
N-(2,4-difluorocyclohexyl)-6-(2-methylbutanoyl)cyclohex-3-ene-1-carboxamide
CID 25239930
N-(3,3-difluorobutan-2-yl)cyclohex-3-ene-1-carboxamide
CID 126793893
(1R)-N-[(2R)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide
CID 129348978
(1S)-N-[(2S)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide
CID 129348979
(1R)-N-[(2S)-3,3-difluorobutan-2-yl]cyclohex-3-ene-1-carboxamide
CID 129348980

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide (CID 58728594) is 6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide is CC(=O)C1CC=CCC1C(=O)NC(C)C.
What is the InChIKey of 6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is NEWFBDXLKJLFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)13-12(15)11-7-5-4-6-10(11)9(3)14/h4-5,8,10-11H,6-7H2,1-3H3,(H,13,15).
What are the key properties of 6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide?
6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-propan-2-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 58728594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).