3-benzyl-1-cyclopropylpentan-1-one

C15H20O — CID 142258959

IUPAC3-benzyl-1-cyclopropylpentan-1-one
SMILESCCC(CC(=O)C1CC1)Cc1ccccc1
InChIInChI=1S/C15H20O/c1-2-12(11-15(16)14-8-9-14)10-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyXYMHVXLIRAGFGF-UHFFFAOYSA-N
MW216.32 g/mol
LogP3.62
Rot. Bonds6

About 3-benzyl-1-cyclopropylpentan-1-one

3-benzyl-1-cyclopropylpentan-1-one (PubChem CID 142258959) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-benzyl-1-cyclopropylpentan-1-one.

Molecular Properties

Compound Name3-benzyl-1-cyclopropylpentan-1-one
PubChem CID142258959
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name3-benzyl-1-cyclopropylpentan-1-one
SMILESCCC(CC(=O)C1CC1)Cc1ccccc1
InChIInChI=1S/C15H20O/c1-2-12(11-15(16)14-8-9-14)10-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3
InChIKeyXYMHVXLIRAGFGF-UHFFFAOYSA-N
XLogP3.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-benzyl-1-cyclopropylpentan-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

Related Compounds

3-benzylpentanoic acid
CID 57185920
2-ethylbutylbenzene;methane
CID 158777195
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid
CID 122036313
3-amino-1-cyclopropyl-3-phenylpropan-1-one
CID 116553143
[(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene
CID 177423287
N-[(2R)-2-benzylbutyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 95554605
(2R)-2-benzylbutan-1-amine
CID 42325983
3-ethyl-1-(oxan-4-yl)pentan-1-one
CID 82919619
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
1-cyclopropyl-4-phenylbutane-1,3-dione
CID 19431038
diethyl (2S)-2-benzylbutanedioate
CID 24748926

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-cyclopropylpentan-1-one?
The IUPAC name of 3-benzyl-1-cyclopropylpentan-1-one (CID 142258959) is 3-benzyl-1-cyclopropylpentan-1-one.
What is the SMILES notation for 3-benzyl-1-cyclopropylpentan-1-one?
The canonical SMILES for 3-benzyl-1-cyclopropylpentan-1-one is CCC(CC(=O)C1CC1)Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-cyclopropylpentan-1-one?
The InChIKey is XYMHVXLIRAGFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-2-12(11-15(16)14-8-9-14)10-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3.
What are the key properties of 3-benzyl-1-cyclopropylpentan-1-one?
3-benzyl-1-cyclopropylpentan-1-one has a molecular weight of 216.32 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-cyclopropylpentan-1-one is sourced from PubChem (CID 142258959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).