5-methylcyclopenta[b]furan-2-one

C8H6O2 — CID 23338126

IUPAC5-methylcyclopenta[b]furan-2-one
SMILESCC1=CC2=CC(=O)OC2=C1
InChIInChI=1S/C8H6O2/c1-5-2-6-4-8(9)10-7(6)3-5/h2-4H,1H3
InChIKeyPVEFEGOZMKRRMY-UHFFFAOYSA-N
MW134.13 g/mol
LogP1.31
Rot. Bonds

About 5-methylcyclopenta[b]furan-2-one

5-methylcyclopenta[b]furan-2-one (PubChem CID 23338126) has the molecular formula C8H6O2 and a molecular weight of 134.13 g/mol. Its IUPAC name is 5-methylcyclopenta[b]furan-2-one.

Molecular Properties

Compound Name5-methylcyclopenta[b]furan-2-one
PubChem CID23338126
Molecular FormulaC8H6O2
Molecular Weight134.13 g/mol
Exact Mass134.04
IUPAC Name5-methylcyclopenta[b]furan-2-one
SMILESCC1=CC2=CC(=O)OC2=C1
InChIInChI=1S/C8H6O2/c1-5-2-6-4-8(9)10-7(6)3-5/h2-4H,1H3
InChIKeyPVEFEGOZMKRRMY-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methylcyclopenta[b]furan-2-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 5-methylcyclopenta[b]furan-2-one?
The IUPAC name of 5-methylcyclopenta[b]furan-2-one (CID 23338126) is 5-methylcyclopenta[b]furan-2-one.
What is the SMILES notation for 5-methylcyclopenta[b]furan-2-one?
The canonical SMILES for 5-methylcyclopenta[b]furan-2-one is CC1=CC2=CC(=O)OC2=C1.
What is the InChIKey of 5-methylcyclopenta[b]furan-2-one?
The InChIKey is PVEFEGOZMKRRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2/c1-5-2-6-4-8(9)10-7(6)3-5/h2-4H,1H3.
What are the key properties of 5-methylcyclopenta[b]furan-2-one?
5-methylcyclopenta[b]furan-2-one has a molecular weight of 134.13 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylcyclopenta[b]furan-2-one is sourced from PubChem (CID 23338126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).