1-(1-cyclopropylcyclopropyl)ethanone

C8H12O — CID 11469075

IUPAC1-(1-cyclopropylcyclopropyl)ethanone
SMILESCC(=O)C1(C2CC2)CC1
InChIInChI=1S/C8H12O/c1-6(9)8(4-5-8)7-2-3-7/h7H,2-5H2,1H3
InChIKeyJFPKCEDLTWPCSZ-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.77
Rot. Bonds2

About 1-(1-cyclopropylcyclopropyl)ethanone

1-(1-cyclopropylcyclopropyl)ethanone (PubChem CID 11469075) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 1-(1-cyclopropylcyclopropyl)ethanone.

Molecular Properties

Compound Name1-(1-cyclopropylcyclopropyl)ethanone
PubChem CID11469075
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name1-(1-cyclopropylcyclopropyl)ethanone
SMILESCC(=O)C1(C2CC2)CC1
InChIInChI=1S/C8H12O/c1-6(9)8(4-5-8)7-2-3-7/h7H,2-5H2,1H3
InChIKeyJFPKCEDLTWPCSZ-UHFFFAOYSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(1-cyclopropylcyclopropyl)ethanone 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 1-(1-cyclopropylcyclopropyl)ethanone?
The IUPAC name of 1-(1-cyclopropylcyclopropyl)ethanone (CID 11469075) is 1-(1-cyclopropylcyclopropyl)ethanone.
What is the SMILES notation for 1-(1-cyclopropylcyclopropyl)ethanone?
The canonical SMILES for 1-(1-cyclopropylcyclopropyl)ethanone is CC(=O)C1(C2CC2)CC1.
What is the InChIKey of 1-(1-cyclopropylcyclopropyl)ethanone?
The InChIKey is JFPKCEDLTWPCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-6(9)8(4-5-8)7-2-3-7/h7H,2-5H2,1H3.
What are the key properties of 1-(1-cyclopropylcyclopropyl)ethanone?
1-(1-cyclopropylcyclopropyl)ethanone has a molecular weight of 124.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylcyclopropyl)ethanone is sourced from PubChem (CID 11469075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).