2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one

C13H16O2 — CID 15782202

IUPAC2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one
SMILESO=C1CCC=C1CCCCc1ccco1
InChIInChI=1S/C13H16O2/c14-13-9-3-6-11(13)5-1-2-7-12-8-4-10-15-12/h4,6,8,10H,1-3,5,7,9H2
InChIKeyVEFFQXJZYUZANN-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.28
Rot. Bonds5

About 2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one

2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one (PubChem CID 15782202) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one
PubChem CID15782202
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one
SMILESO=C1CCC=C1CCCCc1ccco1
InChIInChI=1S/C13H16O2/c14-13-9-3-6-11(13)5-1-2-7-12-8-4-10-15-12/h4,6,8,10H,1-3,5,7,9H2
InChIKeyVEFFQXJZYUZANN-UHFFFAOYSA-N
XLogP3.28
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one (CID 15782202) is 2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one is O=C1CCC=C1CCCCc1ccco1.
What is the InChIKey of 2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one?
The InChIKey is VEFFQXJZYUZANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-13-9-3-6-11(13)5-1-2-7-12-8-4-10-15-12/h4,6,8,10H,1-3,5,7,9H2.
What are the key properties of 2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one?
2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one has a molecular weight of 204.27 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)butyl]cyclopent-2-en-1-one is sourced from PubChem (CID 15782202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).