7-ethenylisochromen-1-one

C11H8O2 — CID 178177184

IUPAC7-ethenylisochromen-1-one
SMILESC=Cc1ccc2ccoc(=O)c2c1
InChIInChI=1S/C11H8O2/c1-2-8-3-4-9-5-6-13-11(12)10(9)7-8/h2-7H,1H2
InChIKeyAVVBVSZRACNMGO-UHFFFAOYSA-N
MW172.18 g/mol
LogP2.44
Rot. Bonds1

About 7-ethenylisochromen-1-one

7-ethenylisochromen-1-one (PubChem CID 178177184) has the molecular formula C11H8O2 and a molecular weight of 172.18 g/mol. Its IUPAC name is 7-ethenylisochromen-1-one.

Molecular Properties

Compound Name7-ethenylisochromen-1-one
PubChem CID178177184
Molecular FormulaC11H8O2
Molecular Weight172.18 g/mol
Exact Mass172.05
IUPAC Name7-ethenylisochromen-1-one
SMILESC=Cc1ccc2ccoc(=O)c2c1
InChIInChI=1S/C11H8O2/c1-2-8-3-4-9-5-6-13-11(12)10(9)7-8/h2-7H,1H2
InChIKeyAVVBVSZRACNMGO-UHFFFAOYSA-N
XLogP2.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-ethenylisochromen-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 7-ethenylisochromen-1-one?
The IUPAC name of 7-ethenylisochromen-1-one (CID 178177184) is 7-ethenylisochromen-1-one.
What is the SMILES notation for 7-ethenylisochromen-1-one?
The canonical SMILES for 7-ethenylisochromen-1-one is C=Cc1ccc2ccoc(=O)c2c1.
What is the InChIKey of 7-ethenylisochromen-1-one?
The InChIKey is AVVBVSZRACNMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O2/c1-2-8-3-4-9-5-6-13-11(12)10(9)7-8/h2-7H,1H2.
What are the key properties of 7-ethenylisochromen-1-one?
7-ethenylisochromen-1-one has a molecular weight of 172.18 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenylisochromen-1-one is sourced from PubChem (CID 178177184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).