4-cyclopropylcyclohexan-1-one

C9H14O — CID 79005012

IUPAC4-cyclopropylcyclohexan-1-one
SMILESO=C1CCC(C2CC2)CC1
InChIInChI=1S/C9H14O/c10-9-5-3-8(4-6-9)7-1-2-7/h7-8H,1-6H2
InChIKeyBZEVMMGVLPTAFZ-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.16
Rot. Bonds1

About 4-cyclopropylcyclohexan-1-one

4-cyclopropylcyclohexan-1-one (PubChem CID 79005012) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-cyclopropylcyclohexan-1-one.

Molecular Properties

Compound Name4-cyclopropylcyclohexan-1-one
PubChem CID79005012
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name4-cyclopropylcyclohexan-1-one
SMILESO=C1CCC(C2CC2)CC1
InChIInChI=1S/C9H14O/c10-9-5-3-8(4-6-9)7-1-2-7/h7-8H,1-6H2
InChIKeyBZEVMMGVLPTAFZ-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-cyclopropylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylcyclohexan-1-one?
The IUPAC name of 4-cyclopropylcyclohexan-1-one (CID 79005012) is 4-cyclopropylcyclohexan-1-one.
What is the SMILES notation for 4-cyclopropylcyclohexan-1-one?
The canonical SMILES for 4-cyclopropylcyclohexan-1-one is O=C1CCC(C2CC2)CC1.
What is the InChIKey of 4-cyclopropylcyclohexan-1-one?
The InChIKey is BZEVMMGVLPTAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c10-9-5-3-8(4-6-9)7-1-2-7/h7-8H,1-6H2.
What are the key properties of 4-cyclopropylcyclohexan-1-one?
4-cyclopropylcyclohexan-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylcyclohexan-1-one is sourced from PubChem (CID 79005012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).