1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one

C10H16OS — CID 86184548

IUPAC1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one
SMILESC=CC(=O)CC1(SCC)CCC1
InChIInChI=1S/C10H16OS/c1-3-9(11)8-10(12-4-2)6-5-7-10/h3H,1,4-8H2,2H3
InChIKeyWDGCBOGQMCDNLU-UHFFFAOYSA-N
MW184.30 g/mol
LogP2.81
Rot. Bonds5

About 1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one

1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one (PubChem CID 86184548) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one.

Molecular Properties

Compound Name1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one
PubChem CID86184548
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one
SMILESC=CC(=O)CC1(SCC)CCC1
InChIInChI=1S/C10H16OS/c1-3-9(11)8-10(12-4-2)6-5-7-10/h3H,1,4-8H2,2H3
InChIKeyWDGCBOGQMCDNLU-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpyrrolidin-2-yl)prop-2-en-1-one
CID 116608144
methyl 1-ethylsulfanylcyclobutane-1-carboxylate
CID 117035078
tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
CID 165465025
(2R)-2-ethylsulfanylpyrrolidine-2-carboxylic acid
CID 67820831
1-(1,5,5-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
CID 11171530
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
1-(2-methylprop-2-enyl)cyclobutane-1-carbaldehyde
CID 131051528
1-cyclopropylbut-3-en-2-one
CID 66652503
[1-(3-ethylpentan-3-yl)cyclohexyl] prop-2-enoate
CID 66663238
1-(2-methylprop-2-enyl)cyclopentane-1-carbaldehyde
CID 130730351
N-methyl-N-(2,2,6,6-tetramethylpiperidin-1-yl)prop-2-enamide
CID 174834679
2-[1-[formyl(methyl)amino]cyclohexyl]acetic acid
CID 65242680

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one?
The IUPAC name of 1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one (CID 86184548) is 1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one.
What is the SMILES notation for 1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one?
The canonical SMILES for 1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one is C=CC(=O)CC1(SCC)CCC1.
What is the InChIKey of 1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one?
The InChIKey is WDGCBOGQMCDNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-3-9(11)8-10(12-4-2)6-5-7-10/h3H,1,4-8H2,2H3.
What are the key properties of 1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one?
1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one has a molecular weight of 184.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylsulfanylcyclobutyl)but-3-en-2-one is sourced from PubChem (CID 86184548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).