8aH-cyclohepta[b]furan-3-one

C9H8O2 — CID 67566434

IUPAC8aH-cyclohepta[b]furan-3-one
SMILESO=C1COC2C=CC=CC=C12
InChIInChI=1S/C9H8O2/c10-8-6-11-9-5-3-1-2-4-7(8)9/h1-5,9H,6H2
InChIKeyFIMOQKKKWMCFEP-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.01
Rot. Bonds

About 8aH-cyclohepta[b]furan-3-one

8aH-cyclohepta[b]furan-3-one (PubChem CID 67566434) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 8aH-cyclohepta[b]furan-3-one.

Molecular Properties

Compound Name8aH-cyclohepta[b]furan-3-one
PubChem CID67566434
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name8aH-cyclohepta[b]furan-3-one
SMILESO=C1COC2C=CC=CC=C12
InChIInChI=1S/C9H8O2/c10-8-6-11-9-5-3-1-2-4-7(8)9/h1-5,9H,6H2
InChIKeyFIMOQKKKWMCFEP-UHFFFAOYSA-N
XLogP1.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8aH-cyclohepta[b]furan-3-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 8aH-cyclohepta[b]furan-3-one?
The IUPAC name of 8aH-cyclohepta[b]furan-3-one (CID 67566434) is 8aH-cyclohepta[b]furan-3-one.
What is the SMILES notation for 8aH-cyclohepta[b]furan-3-one?
The canonical SMILES for 8aH-cyclohepta[b]furan-3-one is O=C1COC2C=CC=CC=C12.
What is the InChIKey of 8aH-cyclohepta[b]furan-3-one?
The InChIKey is FIMOQKKKWMCFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-6-11-9-5-3-1-2-4-7(8)9/h1-5,9H,6H2.
What are the key properties of 8aH-cyclohepta[b]furan-3-one?
8aH-cyclohepta[b]furan-3-one has a molecular weight of 148.16 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-cyclohepta[b]furan-3-one is sourced from PubChem (CID 67566434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).