1-cyclopropylpropan-1-one

C6H10O — CID 549699

IUPAC1-cyclopropylpropan-1-one
SMILESCCC(=O)C1CC1
InChIInChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h5H,2-4H2,1H3
InChIKeyJXAVVBPORYWDME-UHFFFAOYSA-N
MW98.14 g/mol
LogP1.38
Rot. Bonds2

About 1-cyclopropylpropan-1-one

1-cyclopropylpropan-1-one (PubChem CID 549699) has the molecular formula C6H10O and a molecular weight of 98.14 g/mol. Its IUPAC name is 1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-cyclopropylpropan-1-one
PubChem CID549699
Molecular FormulaC6H10O
Molecular Weight98.14 g/mol
Exact Mass98.07
IUPAC Name1-cyclopropylpropan-1-one
SMILESCCC(=O)C1CC1
InChIInChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h5H,2-4H2,1H3
InChIKeyJXAVVBPORYWDME-UHFFFAOYSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropylpropan-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 1-cyclopropylpropan-1-one?
The IUPAC name of 1-cyclopropylpropan-1-one (CID 549699) is 1-cyclopropylpropan-1-one.
What is the SMILES notation for 1-cyclopropylpropan-1-one?
The canonical SMILES for 1-cyclopropylpropan-1-one is CCC(=O)C1CC1.
What is the InChIKey of 1-cyclopropylpropan-1-one?
The InChIKey is JXAVVBPORYWDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h5H,2-4H2,1H3.
What are the key properties of 1-cyclopropylpropan-1-one?
1-cyclopropylpropan-1-one has a molecular weight of 98.14 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylpropan-1-one is sourced from PubChem (CID 549699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).