3-prop-2-enoxycyclohexa-2,5-dien-1-one

C9H10O2 — CID 91248493

IUPAC3-prop-2-enoxycyclohexa-2,5-dien-1-one
SMILESC=CCOC1=CC(=O)C=CC1
InChIInChI=1S/C9H10O2/c1-2-6-11-9-5-3-4-8(10)7-9/h2-4,7H,1,5-6H2
InChIKeyJMEFRXONKYWVII-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.60
Rot. Bonds3

About 3-prop-2-enoxycyclohexa-2,5-dien-1-one

3-prop-2-enoxycyclohexa-2,5-dien-1-one (PubChem CID 91248493) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-prop-2-enoxycyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name3-prop-2-enoxycyclohexa-2,5-dien-1-one
PubChem CID91248493
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-prop-2-enoxycyclohexa-2,5-dien-1-one
SMILESC=CCOC1=CC(=O)C=CC1
InChIInChI=1S/C9H10O2/c1-2-6-11-9-5-3-4-8(10)7-9/h2-4,7H,1,5-6H2
InChIKeyJMEFRXONKYWVII-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-prop-2-enoxycyclohexa-2,5-dien-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 3-prop-2-enoxycyclohexa-2,5-dien-1-one?
The IUPAC name of 3-prop-2-enoxycyclohexa-2,5-dien-1-one (CID 91248493) is 3-prop-2-enoxycyclohexa-2,5-dien-1-one.
What is the SMILES notation for 3-prop-2-enoxycyclohexa-2,5-dien-1-one?
The canonical SMILES for 3-prop-2-enoxycyclohexa-2,5-dien-1-one is C=CCOC1=CC(=O)C=CC1.
What is the InChIKey of 3-prop-2-enoxycyclohexa-2,5-dien-1-one?
The InChIKey is JMEFRXONKYWVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-6-11-9-5-3-4-8(10)7-9/h2-4,7H,1,5-6H2.
What are the key properties of 3-prop-2-enoxycyclohexa-2,5-dien-1-one?
3-prop-2-enoxycyclohexa-2,5-dien-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxycyclohexa-2,5-dien-1-one is sourced from PubChem (CID 91248493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).