6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide

C11H17NO2 — CID 58728406

IUPAC6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide
SMILESCCNC(=O)C1CC=CCC1C(C)=O
InChIInChI=1S/C11H17NO2/c1-3-12-11(14)10-7-5-4-6-9(10)8(2)13/h4-5,9-10H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyDWEXSECVKMPQSF-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.29
Rot. Bonds3

About 6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide

6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide (PubChem CID 58728406) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide
PubChem CID58728406
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide
SMILESCCNC(=O)C1CC=CCC1C(C)=O
InChIInChI=1S/C11H17NO2/c1-3-12-11(14)10-7-5-4-6-9(10)8(2)13/h4-5,9-10H,3,6-7H2,1-2H3,(H,12,14)
InChIKeyDWEXSECVKMPQSF-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.29
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-propyl alpha-methyl arachidonoyl amine
CID 5283416
5-Norbornene-2,3-dicarboxamide, N,N'-diethyl-, trans-
CID 99857
(1R,2S)-1-N,2-N-di(cyclohex-2-en-1-yl)cyclohex-4-ene-1,2-dicarboxamide
CID 75432041
N-(2-fluoroethyl)cyclohex-3-ene-1-carboxamide
CID 130701915
(5R,6E,9R)-5-ethyl-9-methyl-2,3,4,5,8,9-hexahydro-1H-azecin-10-one
CID 11019767
N-butyl-2-cyclopent-2-en-1-ylacetamide
CID 12175280
(5R,6Z,9R)-5-ethyl-9-methyl-2,3,4,5,8,9-hexahydro-1H-azecin-10-one
CID 134964615
N-(1-fluoropropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 130611470
N-(2-fluoroethyl)-6-methylcyclohex-3-ene-1-carboxamide
CID 131155157
3,5,6-trimethyl-N-(2-methylprop-2-enyl)cyclohex-3-ene-1-carboxamide
CID 238056
2-N,3-N-dipropylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 428692
N-[2-(2-methylpropanoylamino)ethyl]cyclohex-3-ene-1-carboxamide
CID 42920140

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide (CID 58728406) is 6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide is CCNC(=O)C1CC=CCC1C(C)=O.
What is the InChIKey of 6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide?
The InChIKey is DWEXSECVKMPQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-12-11(14)10-7-5-4-6-9(10)8(2)13/h4-5,9-10H,3,6-7H2,1-2H3,(H,12,14).
What are the key properties of 6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide?
6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-ethylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 58728406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).