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

C10H15NO2 — CID 58728427

IUPAC6-acetyl-N-methylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)C1CC=CCC1C(C)=O
InChIInChI=1S/C10H15NO2/c1-7(12)8-5-3-4-6-9(8)10(13)11-2/h3-4,8-9H,5-6H2,1-2H3,(H,11,13)
InChIKeyYOEYCDGRMLAREG-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.90
Rot. Bonds2

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

6-acetyl-N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 58728427) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 6-acetyl-N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-methylcyclohex-3-ene-1-carboxamide
PubChem CID58728427
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name6-acetyl-N-methylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)C1CC=CCC1C(C)=O
InChIInChI=1S/C10H15NO2/c1-7(12)8-5-3-4-6-9(8)10(13)11-2/h3-4,8-9H,5-6H2,1-2H3,(H,11,13)
InChIKeyYOEYCDGRMLAREG-UHFFFAOYSA-N
XLogP0.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 6-acetyl-N-methylcyclohex-3-ene-1-carboxamide (CID 58728427) is 6-acetyl-N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 6-acetyl-N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 6-acetyl-N-methylcyclohex-3-ene-1-carboxamide is CNC(=O)C1CC=CCC1C(C)=O.
What is the InChIKey of 6-acetyl-N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is YOEYCDGRMLAREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(12)8-5-3-4-6-9(8)10(13)11-2/h3-4,8-9H,5-6H2,1-2H3,(H,11,13).
What are the key properties of 6-acetyl-N-methylcyclohex-3-ene-1-carboxamide?
6-acetyl-N-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 181.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 58728427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).