1-cyclopropyl-4-propylheptan-3-one

C13H24O — CID 114978233

IUPAC1-cyclopropyl-4-propylheptan-3-one
SMILESCCCC(CCC)C(=O)CCC1CC1
InChIInChI=1S/C13H24O/c1-3-5-12(6-4-2)13(14)10-9-11-7-8-11/h11-12H,3-10H2,1-2H3
InChIKeyNHSOEVUMDBPIGS-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.96
Rot. Bonds8

About 1-cyclopropyl-4-propylheptan-3-one

1-cyclopropyl-4-propylheptan-3-one (PubChem CID 114978233) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-cyclopropyl-4-propylheptan-3-one.

Molecular Properties

Compound Name1-cyclopropyl-4-propylheptan-3-one
PubChem CID114978233
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-cyclopropyl-4-propylheptan-3-one
SMILESCCCC(CCC)C(=O)CCC1CC1
InChIInChI=1S/C13H24O/c1-3-5-12(6-4-2)13(14)10-9-11-7-8-11/h11-12H,3-10H2,1-2H3
InChIKeyNHSOEVUMDBPIGS-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclopropyl-4-propylheptan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

1-hydroxy-4-propylheptan-3-one
CID 159944389
4-propylnonan-5-one
CID 19931333
1-cyclopropyl-4-hydroxy-5,5-dimethylhexan-3-one
CID 103456307
1-cyclopropylheptane-3,4-diol
CID 103455036
2-(3-cyclopropylpropanoylamino)pentanoic acid
CID 115923947
5-(cyclopropylmethyl)-2-methyloctan-4-one
CID 59143682
4-amino-1-cyclopropyl-5-methylheptan-3-one
CID 116552846
1-cyclopropyl-4-ethoxyhexan-3-one
CID 116707506
1-(oxan-4-yl)-3-propylhexan-2-one
CID 114969192
4-methyl-1-(4-propan-2-ylcyclohexyl)pentan-3-one;sulfane
CID 177028159
3-(3-cyclopropylpropanoylamino)hexanoic acid
CID 115910353
sodium 2-(2-cyclohexylethyl)pentanoate
CID 23662839

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propylheptan-3-one?
The IUPAC name of 1-cyclopropyl-4-propylheptan-3-one (CID 114978233) is 1-cyclopropyl-4-propylheptan-3-one.
What is the SMILES notation for 1-cyclopropyl-4-propylheptan-3-one?
The canonical SMILES for 1-cyclopropyl-4-propylheptan-3-one is CCCC(CCC)C(=O)CCC1CC1.
What is the InChIKey of 1-cyclopropyl-4-propylheptan-3-one?
The InChIKey is NHSOEVUMDBPIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-3-5-12(6-4-2)13(14)10-9-11-7-8-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-propylheptan-3-one?
1-cyclopropyl-4-propylheptan-3-one has a molecular weight of 196.33 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propylheptan-3-one is sourced from PubChem (CID 114978233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).