6-but-3-enylcyclohex-2-en-1-one

C10H14O — CID 130026692

IUPAC6-but-3-enylcyclohex-2-en-1-one
SMILESC=CCCC1CCC=CC1=O
InChIInChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h2,5,8-9H,1,3-4,6-7H2
InChIKeyKUQMKZXIEOKNRJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds3

About 6-but-3-enylcyclohex-2-en-1-one

6-but-3-enylcyclohex-2-en-1-one (PubChem CID 130026692) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 6-but-3-enylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-but-3-enylcyclohex-2-en-1-one
PubChem CID130026692
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name6-but-3-enylcyclohex-2-en-1-one
SMILESC=CCCC1CCC=CC1=O
InChIInChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h2,5,8-9H,1,3-4,6-7H2
InChIKeyKUQMKZXIEOKNRJ-UHFFFAOYSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-but-3-enylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enylcyclohex-2-en-1-one?
The IUPAC name of 6-but-3-enylcyclohex-2-en-1-one (CID 130026692) is 6-but-3-enylcyclohex-2-en-1-one.
What is the SMILES notation for 6-but-3-enylcyclohex-2-en-1-one?
The canonical SMILES for 6-but-3-enylcyclohex-2-en-1-one is C=CCCC1CCC=CC1=O.
What is the InChIKey of 6-but-3-enylcyclohex-2-en-1-one?
The InChIKey is KUQMKZXIEOKNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-3-6-9-7-4-5-8-10(9)11/h2,5,8-9H,1,3-4,6-7H2.
What are the key properties of 6-but-3-enylcyclohex-2-en-1-one?
6-but-3-enylcyclohex-2-en-1-one has a molecular weight of 150.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enylcyclohex-2-en-1-one is sourced from PubChem (CID 130026692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).