1-(2-phenylcyclopropyl)pentan-3-one

C14H18O — CID 116518251

IUPAC1-(2-phenylcyclopropyl)pentan-3-one
SMILESCCC(=O)CCC1CC1c1ccccc1
InChIInChI=1S/C14H18O/c1-2-13(15)9-8-12-10-14(12)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3
InChIKeyFVGUQXHEYREZDO-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.55
Rot. Bonds5

About 1-(2-phenylcyclopropyl)pentan-3-one

1-(2-phenylcyclopropyl)pentan-3-one (PubChem CID 116518251) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)pentan-3-one.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)pentan-3-one
PubChem CID116518251
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(2-phenylcyclopropyl)pentan-3-one
SMILESCCC(=O)CCC1CC1c1ccccc1
InChIInChI=1S/C14H18O/c1-2-13(15)9-8-12-10-14(12)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3
InChIKeyFVGUQXHEYREZDO-UHFFFAOYSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2-phenylcyclopropyl)pentan-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

3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
[(1R,2R)-2-hexylcyclopropyl]benzene
CID 100977396
1-methoxy-3-(2-phenylcyclopropyl)propan-2-one
CID 161462275
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
CID 177478174
acetic acid;trans-(1R,2S)-2-phenylcyclopropan-1-amine
CID 22216545
3-[(2-phenylcyclopropyl)methylamino]propanamide
CID 115919599
[(1S,2R)-2-phenylcyclopropyl]methyl benzoate
CID 135011727
1-hydroxy-1-[[(1R,2R)-2-phenylcyclopropyl]methyl]urea
CID 15015094
methyl 3-[(1S,2R)-2-phenylcyclopentyl]propanoate
CID 101026694
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)pentan-3-one?
The IUPAC name of 1-(2-phenylcyclopropyl)pentan-3-one (CID 116518251) is 1-(2-phenylcyclopropyl)pentan-3-one.
What is the SMILES notation for 1-(2-phenylcyclopropyl)pentan-3-one?
The canonical SMILES for 1-(2-phenylcyclopropyl)pentan-3-one is CCC(=O)CCC1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)pentan-3-one?
The InChIKey is FVGUQXHEYREZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-2-13(15)9-8-12-10-14(12)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3.
What are the key properties of 1-(2-phenylcyclopropyl)pentan-3-one?
1-(2-phenylcyclopropyl)pentan-3-one has a molecular weight of 202.30 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)pentan-3-one is sourced from PubChem (CID 116518251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).