3-cyclopent-2-en-1-yl-3-methylbutan-2-one

C10H16O — CID 13127866

IUPAC3-cyclopent-2-en-1-yl-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)C1C=CCC1
InChIInChI=1S/C10H16O/c1-8(11)10(2,3)9-6-4-5-7-9/h4,6,9H,5,7H2,1-3H3
InChIKeyARTYKCWVCLHLMS-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About 3-cyclopent-2-en-1-yl-3-methylbutan-2-one

3-cyclopent-2-en-1-yl-3-methylbutan-2-one (PubChem CID 13127866) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-cyclopent-2-en-1-yl-3-methylbutan-2-one.

Molecular Properties

Compound Name3-cyclopent-2-en-1-yl-3-methylbutan-2-one
PubChem CID13127866
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name3-cyclopent-2-en-1-yl-3-methylbutan-2-one
SMILESCC(=O)C(C)(C)C1C=CCC1
InChIInChI=1S/C10H16O/c1-8(11)10(2,3)9-6-4-5-7-9/h4,6,9H,5,7H2,1-3H3
InChIKeyARTYKCWVCLHLMS-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
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 3-cyclopent-2-en-1-yl-3-methylbutan-2-one?
The IUPAC name of 3-cyclopent-2-en-1-yl-3-methylbutan-2-one (CID 13127866) is 3-cyclopent-2-en-1-yl-3-methylbutan-2-one.
What is the SMILES notation for 3-cyclopent-2-en-1-yl-3-methylbutan-2-one?
The canonical SMILES for 3-cyclopent-2-en-1-yl-3-methylbutan-2-one is CC(=O)C(C)(C)C1C=CCC1.
What is the InChIKey of 3-cyclopent-2-en-1-yl-3-methylbutan-2-one?
The InChIKey is ARTYKCWVCLHLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(11)10(2,3)9-6-4-5-7-9/h4,6,9H,5,7H2,1-3H3.
What are the key properties of 3-cyclopent-2-en-1-yl-3-methylbutan-2-one?
3-cyclopent-2-en-1-yl-3-methylbutan-2-one has a molecular weight of 152.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopent-2-en-1-yl-3-methylbutan-2-one is sourced from PubChem (CID 13127866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).