2-prop-2-enoxycyclohex-2-en-1-one

C9H12O2 — CID 11829642

IUPAC2-prop-2-enoxycyclohex-2-en-1-one
SMILESC=CCOC1=CCCCC1=O
InChIInChI=1S/C9H12O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2,6H,1,3-5,7H2
InChIKeyKBIHGTCSDHGNDH-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.83
Rot. Bonds3

About 2-prop-2-enoxycyclohex-2-en-1-one

2-prop-2-enoxycyclohex-2-en-1-one (PubChem CID 11829642) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-prop-2-enoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-prop-2-enoxycyclohex-2-en-1-one
PubChem CID11829642
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-prop-2-enoxycyclohex-2-en-1-one
SMILESC=CCOC1=CCCCC1=O
InChIInChI=1S/C9H12O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2,6H,1,3-5,7H2
InChIKeyKBIHGTCSDHGNDH-UHFFFAOYSA-N
XLogP1.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-prop-2-enoxycyclohex-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 2-prop-2-enoxycyclohex-2-en-1-one?
The IUPAC name of 2-prop-2-enoxycyclohex-2-en-1-one (CID 11829642) is 2-prop-2-enoxycyclohex-2-en-1-one.
What is the SMILES notation for 2-prop-2-enoxycyclohex-2-en-1-one?
The canonical SMILES for 2-prop-2-enoxycyclohex-2-en-1-one is C=CCOC1=CCCCC1=O.
What is the InChIKey of 2-prop-2-enoxycyclohex-2-en-1-one?
The InChIKey is KBIHGTCSDHGNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-7-11-9-6-4-3-5-8(9)10/h2,6H,1,3-5,7H2.
What are the key properties of 2-prop-2-enoxycyclohex-2-en-1-one?
2-prop-2-enoxycyclohex-2-en-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxycyclohex-2-en-1-one is sourced from PubChem (CID 11829642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).