4-cyclopropylidenecyclohexan-1-one

C9H12O — CID 22502174

IUPAC4-cyclopropylidenecyclohexan-1-one
SMILESO=C1CCC(=C2CC2)CC1
InChIInChI=1S/C9H12O/c10-9-5-3-8(4-6-9)7-1-2-7/h1-6H2
InChIKeyJGRJCCCWIYIRTE-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.22
Rot. Bonds

About 4-cyclopropylidenecyclohexan-1-one

4-cyclopropylidenecyclohexan-1-one (PubChem CID 22502174) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 4-cyclopropylidenecyclohexan-1-one.

Molecular Properties

Compound Name4-cyclopropylidenecyclohexan-1-one
PubChem CID22502174
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name4-cyclopropylidenecyclohexan-1-one
SMILESO=C1CCC(=C2CC2)CC1
InChIInChI=1S/C9H12O/c10-9-5-3-8(4-6-9)7-1-2-7/h1-6H2
InChIKeyJGRJCCCWIYIRTE-UHFFFAOYSA-N
XLogP2.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.22
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 4-cyclopropylidenecyclohexan-1-one?
The IUPAC name of 4-cyclopropylidenecyclohexan-1-one (CID 22502174) is 4-cyclopropylidenecyclohexan-1-one.
What is the SMILES notation for 4-cyclopropylidenecyclohexan-1-one?
The canonical SMILES for 4-cyclopropylidenecyclohexan-1-one is O=C1CCC(=C2CC2)CC1.
What is the InChIKey of 4-cyclopropylidenecyclohexan-1-one?
The InChIKey is JGRJCCCWIYIRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c10-9-5-3-8(4-6-9)7-1-2-7/h1-6H2.
What are the key properties of 4-cyclopropylidenecyclohexan-1-one?
4-cyclopropylidenecyclohexan-1-one has a molecular weight of 136.19 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidenecyclohexan-1-one is sourced from PubChem (CID 22502174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).