3-methylidene-4-methylsulfanylcyclopentan-1-one

C7H10OS — CID 134255739

IUPAC3-methylidene-4-methylsulfanylcyclopentan-1-one
SMILESC=C1CC(=O)CC1SC
InChIInChI=1S/C7H10OS/c1-5-3-6(8)4-7(5)9-2/h7H,1,3-4H2,2H3
InChIKeyFOWAZQWYELOBON-UHFFFAOYSA-N
MW142.22 g/mol
LogP1.64
Rot. Bonds1

About 3-methylidene-4-methylsulfanylcyclopentan-1-one

3-methylidene-4-methylsulfanylcyclopentan-1-one (PubChem CID 134255739) has the molecular formula C7H10OS and a molecular weight of 142.22 g/mol. Its IUPAC name is 3-methylidene-4-methylsulfanylcyclopentan-1-one.

Molecular Properties

Compound Name3-methylidene-4-methylsulfanylcyclopentan-1-one
PubChem CID134255739
Molecular FormulaC7H10OS
Molecular Weight142.22 g/mol
Exact Mass142.05
IUPAC Name3-methylidene-4-methylsulfanylcyclopentan-1-one
SMILESC=C1CC(=O)CC1SC
InChIInChI=1S/C7H10OS/c1-5-3-6(8)4-7(5)9-2/h7H,1,3-4H2,2H3
InChIKeyFOWAZQWYELOBON-UHFFFAOYSA-N
XLogP1.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one
CID 123201241
1-methylidene-2-methylsulfanylcyclopentane
CID 143132028
methylazanide;3-methylsulfanylpyrrolidin-1-ide-2,5-dione;yttrium
CID 58203674
(3R)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130632888
1-(3-methylbutyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130466769
1-(fluoromethyl)-3-methylsulfanylpyrrolidine-2,5-dione
CID 139393627
1-[2-(2-methylidene-5-oxopyrrol-1-yl)ethyl]-3-methylsulfanylpyrrolidine-2,5-dione
CID 139522248
1-chloro-3-methylsulfanylpyrrolidine-2,5-dione
CID 142806162
4-(sulfanylmethylsulfanyl)cyclopentane-1,3-dione
CID 89255747
3-methylsulfanylpyrrolidin-1-ide-2,5-dione;propane;yttrium
CID 59983896
3-methyl-8-methylidene-2,4,5,8a-tetrahydro-1H-azulen-6-one
CID 21434887
methanethiol;1-(2-methylpropyl)-3-methylsulfanylpyrrolidine-2,5-dione;1-(2-methylpropyl)pyrrole-2,5-dione
CID 158574620

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-4-methylsulfanylcyclopentan-1-one?
The IUPAC name of 3-methylidene-4-methylsulfanylcyclopentan-1-one (CID 134255739) is 3-methylidene-4-methylsulfanylcyclopentan-1-one.
What is the SMILES notation for 3-methylidene-4-methylsulfanylcyclopentan-1-one?
The canonical SMILES for 3-methylidene-4-methylsulfanylcyclopentan-1-one is C=C1CC(=O)CC1SC.
What is the InChIKey of 3-methylidene-4-methylsulfanylcyclopentan-1-one?
The InChIKey is FOWAZQWYELOBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10OS/c1-5-3-6(8)4-7(5)9-2/h7H,1,3-4H2,2H3.
What are the key properties of 3-methylidene-4-methylsulfanylcyclopentan-1-one?
3-methylidene-4-methylsulfanylcyclopentan-1-one has a molecular weight of 142.22 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-4-methylsulfanylcyclopentan-1-one is sourced from PubChem (CID 134255739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).