1-cyclopentylidenepropan-2-one

C8H12O — CID 4227745

IUPAC1-cyclopentylidenepropan-2-one
SMILESCC(=O)C=C1CCCC1
InChIInChI=1S/C8H12O/c1-7(9)6-8-4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyUTZMTDJSBFQHBK-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.08
Rot. Bonds1

About 1-cyclopentylidenepropan-2-one

1-cyclopentylidenepropan-2-one (PubChem CID 4227745) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-cyclopentylidenepropan-2-one.

Molecular Properties

Compound Name1-cyclopentylidenepropan-2-one
PubChem CID4227745
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-cyclopentylidenepropan-2-one
SMILESCC(=O)C=C1CCCC1
InChIInChI=1S/C8H12O/c1-7(9)6-8-4-2-3-5-8/h6H,2-5H2,1H3
InChIKeyUTZMTDJSBFQHBK-UHFFFAOYSA-N
XLogP2.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylidenepropan-2-one?
The IUPAC name of 1-cyclopentylidenepropan-2-one (CID 4227745) is 1-cyclopentylidenepropan-2-one.
What is the SMILES notation for 1-cyclopentylidenepropan-2-one?
The canonical SMILES for 1-cyclopentylidenepropan-2-one is CC(=O)C=C1CCCC1.
What is the InChIKey of 1-cyclopentylidenepropan-2-one?
The InChIKey is UTZMTDJSBFQHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-7(9)6-8-4-2-3-5-8/h6H,2-5H2,1H3.
What are the key properties of 1-cyclopentylidenepropan-2-one?
1-cyclopentylidenepropan-2-one has a molecular weight of 124.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylidenepropan-2-one is sourced from PubChem (CID 4227745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).