1-cyclopropylethanone

C5H8O — CID 13004

IUPAC1-cyclopropylethanone
SMILESCC(=O)C1CC1
InChIInChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3
InChIKeyHVCFCNAITDHQFX-UHFFFAOYSA-N
MW84.12 g/mol
LogP0.99
Rot. Bonds1

About 1-cyclopropylethanone

1-cyclopropylethanone (PubChem CID 13004) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is 1-cyclopropylethanone.

Molecular Properties

Compound Name1-cyclopropylethanone
PubChem CID13004
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name1-cyclopropylethanone
SMILESCC(=O)C1CC1
InChIInChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3
InChIKeyHVCFCNAITDHQFX-UHFFFAOYSA-N
XLogP0.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropylethanone 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-cyclopropylethanone?
The IUPAC name of 1-cyclopropylethanone (CID 13004) is 1-cyclopropylethanone.
What is the SMILES notation for 1-cyclopropylethanone?
The canonical SMILES for 1-cyclopropylethanone is CC(=O)C1CC1.
What is the InChIKey of 1-cyclopropylethanone?
The InChIKey is HVCFCNAITDHQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O/c1-4(6)5-2-3-5/h5H,2-3H2,1H3.
What are the key properties of 1-cyclopropylethanone?
1-cyclopropylethanone has a molecular weight of 84.12 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethanone is sourced from PubChem (CID 13004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).