1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone

C14H24OS — CID 23384652

IUPAC1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C(C)CSCC
InChIInChI=1S/C14H24OS/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-16-6-2/h5,10,12-14H,1,6-9H2,2-4H3
InChIKeyFRYYTMHBUUWRAB-UHFFFAOYSA-N
MW240.41 g/mol
LogP3.79
Rot. Bonds6

About 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone

1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone (PubChem CID 23384652) has the molecular formula C14H24OS and a molecular weight of 240.41 g/mol. Its IUPAC name is 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone.

Molecular Properties

Compound Name1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone
PubChem CID23384652
Molecular FormulaC14H24OS
Molecular Weight240.41 g/mol
Exact Mass240.15
IUPAC Name1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone
SMILESC=CC1CC(C(C)=O)CC1C(C)CSCC
InChIInChI=1S/C14H24OS/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-16-6-2/h5,10,12-14H,1,6-9H2,2-4H3
InChIKeyFRYYTMHBUUWRAB-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone 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

2-[2-(Methylsulfanylmethyl)but-3-enyl]cyclohexan-1-one
CID 12527685
O-ethyl [2-[(2S,5R)-2,5-bis(ethenyl)-1-methylcyclopentyl]-2-oxoethyl]sulfanylmethanethioate
CID 11565648
cis-(2R,3R)-3-[(2S)-1-(1,3-dithian-2-ylidene)propan-2-yl]-2-methyl-2-prop-2-enylcyclopentan-1-one
CID 134937728
1-(Bicyclo[2.2.1]hept-5-en-2-yl)-2-(methylsulfanyl)ethanone
CID 91694325
S-butyl 2-(2-bicyclo[2.2.1]hept-5-enyl)ethanethioate
CID 20649890
S-butyl bicyclo[2.2.1]hept-5-ene-2-carbothioate
CID 20649956
1-(ethylthio)-16,20-methanoprost-13E-en-9-one
CID 22808762
trans-(2R,3R)-3-[(E)-3-cyclohexylprop-1-enyl]-2-(7-propan-2-ylsulfanylheptyl)cyclopentan-1-one
CID 22808764
1-[3-Ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone
CID 23384653
Actinium;1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone
CID 23384775
Actinium;1-[3-ethenyl-4-(1-ethylsulfonylpropan-2-yl)cyclopentyl]ethanone
CID 23384776
Actinium;1-[3-ethenyl-4-(1-propan-2-ylsulfanylpropan-2-yl)cyclopentyl]ethanone
CID 23384778

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The IUPAC name of 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone (CID 23384652) is 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone.
What is the SMILES notation for 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The canonical SMILES for 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone is C=CC1CC(C(C)=O)CC1C(C)CSCC.
What is the InChIKey of 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
The InChIKey is FRYYTMHBUUWRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24OS/c1-5-12-7-13(11(4)15)8-14(12)10(3)9-16-6-2/h5,10,12-14H,1,6-9H2,2-4H3.
What are the key properties of 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone?
1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone has a molecular weight of 240.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethenyl-4-(1-ethylsulfanylpropan-2-yl)cyclopentyl]ethanone is sourced from PubChem (CID 23384652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).