4-cyclopentyl-3H-furan-2-one

C9H12O2 — CID 14816204

IUPAC4-cyclopentyl-3H-furan-2-one
SMILESO=C1CC(C2CCCC2)=CO1
InChIInChI=1S/C9H12O2/c10-9-5-8(6-11-9)7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyJQBBUSZYKKANHF-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.01
Rot. Bonds1

About 4-cyclopentyl-3H-furan-2-one

4-cyclopentyl-3H-furan-2-one (PubChem CID 14816204) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-cyclopentyl-3H-furan-2-one.

Molecular Properties

Compound Name4-cyclopentyl-3H-furan-2-one
PubChem CID14816204
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-cyclopentyl-3H-furan-2-one
SMILESO=C1CC(C2CCCC2)=CO1
InChIInChI=1S/C9H12O2/c10-9-5-8(6-11-9)7-3-1-2-4-7/h6-7H,1-5H2
InChIKeyJQBBUSZYKKANHF-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-3H-furan-2-one?
The IUPAC name of 4-cyclopentyl-3H-furan-2-one (CID 14816204) is 4-cyclopentyl-3H-furan-2-one.
What is the SMILES notation for 4-cyclopentyl-3H-furan-2-one?
The canonical SMILES for 4-cyclopentyl-3H-furan-2-one is O=C1CC(C2CCCC2)=CO1.
What is the InChIKey of 4-cyclopentyl-3H-furan-2-one?
The InChIKey is JQBBUSZYKKANHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-9-5-8(6-11-9)7-3-1-2-4-7/h6-7H,1-5H2.
What are the key properties of 4-cyclopentyl-3H-furan-2-one?
4-cyclopentyl-3H-furan-2-one has a molecular weight of 152.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-3H-furan-2-one is sourced from PubChem (CID 14816204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).