1-cyclobutyl-2-(cyclopenten-1-yl)ethanone

C11H16O — CID 130802985

IUPAC1-cyclobutyl-2-(cyclopenten-1-yl)ethanone
SMILESO=C(CC1=CCCC1)C1CCC1
InChIInChI=1S/C11H16O/c12-11(10-6-3-7-10)8-9-4-1-2-5-9/h4,10H,1-3,5-8H2
InChIKeyYWHRIHDHMQZCMU-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.86
Rot. Bonds3

About 1-cyclobutyl-2-(cyclopenten-1-yl)ethanone

1-cyclobutyl-2-(cyclopenten-1-yl)ethanone (PubChem CID 130802985) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-cyclobutyl-2-(cyclopenten-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(cyclopenten-1-yl)ethanone
PubChem CID130802985
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1-cyclobutyl-2-(cyclopenten-1-yl)ethanone
SMILESO=C(CC1=CCCC1)C1CCC1
InChIInChI=1S/C11H16O/c12-11(10-6-3-7-10)8-9-4-1-2-5-9/h4,10H,1-3,5-8H2
InChIKeyYWHRIHDHMQZCMU-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(cyclopenten-1-yl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(cyclopenten-1-yl)ethanone (CID 130802985) is 1-cyclobutyl-2-(cyclopenten-1-yl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(cyclopenten-1-yl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(cyclopenten-1-yl)ethanone is O=C(CC1=CCCC1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(cyclopenten-1-yl)ethanone?
The InChIKey is YWHRIHDHMQZCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c12-11(10-6-3-7-10)8-9-4-1-2-5-9/h4,10H,1-3,5-8H2.
What are the key properties of 1-cyclobutyl-2-(cyclopenten-1-yl)ethanone?
1-cyclobutyl-2-(cyclopenten-1-yl)ethanone has a molecular weight of 164.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(cyclopenten-1-yl)ethanone is sourced from PubChem (CID 130802985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).