3-cyclohex-3-en-1-yl-N-methylpropanamide

C10H17NO — CID 66707598

IUPAC3-cyclohex-3-en-1-yl-N-methylpropanamide
SMILESCNC(=O)CCC1CC=CCC1
InChIInChI=1S/C10H17NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-3,9H,4-8H2,1H3,(H,11,12)
InChIKeyVRQXYXKNCOTDTD-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds3

About 3-cyclohex-3-en-1-yl-N-methylpropanamide

3-cyclohex-3-en-1-yl-N-methylpropanamide (PubChem CID 66707598) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-cyclohex-3-en-1-yl-N-methylpropanamide.

Molecular Properties

Compound Name3-cyclohex-3-en-1-yl-N-methylpropanamide
PubChem CID66707598
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-cyclohex-3-en-1-yl-N-methylpropanamide
SMILESCNC(=O)CCC1CC=CCC1
InChIInChI=1S/C10H17NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-3,9H,4-8H2,1H3,(H,11,12)
InChIKeyVRQXYXKNCOTDTD-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-cyclohex-3-en-1-yl-N-methylpropanamide?
The IUPAC name of 3-cyclohex-3-en-1-yl-N-methylpropanamide (CID 66707598) is 3-cyclohex-3-en-1-yl-N-methylpropanamide.
What is the SMILES notation for 3-cyclohex-3-en-1-yl-N-methylpropanamide?
The canonical SMILES for 3-cyclohex-3-en-1-yl-N-methylpropanamide is CNC(=O)CCC1CC=CCC1.
What is the InChIKey of 3-cyclohex-3-en-1-yl-N-methylpropanamide?
The InChIKey is VRQXYXKNCOTDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-3,9H,4-8H2,1H3,(H,11,12).
What are the key properties of 3-cyclohex-3-en-1-yl-N-methylpropanamide?
3-cyclohex-3-en-1-yl-N-methylpropanamide has a molecular weight of 167.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-3-en-1-yl-N-methylpropanamide is sourced from PubChem (CID 66707598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).