5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one

C10H15NOS — CID 123201241

IUPAC5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one
SMILESC=C(C)CN1C(=C)CC(SC)C1=O
InChIInChI=1S/C10H15NOS/c1-7(2)6-11-8(3)5-9(13-4)10(11)12/h9H,1,3,5-6H2,2,4H3
InChIKeyXEPCPDHKWJTZIJ-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.04
Rot. Bonds3

About 5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one

5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one (PubChem CID 123201241) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one
PubChem CID123201241
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one
SMILESC=C(C)CN1C(=C)CC(SC)C1=O
InChIInChI=1S/C10H15NOS/c1-7(2)6-11-8(3)5-9(13-4)10(11)12/h9H,1,3,5-6H2,2,4H3
InChIKeyXEPCPDHKWJTZIJ-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one?
The IUPAC name of 5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one (CID 123201241) is 5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for 5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one is C=C(C)CN1C(=C)CC(SC)C1=O.
What is the InChIKey of 5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one?
The InChIKey is XEPCPDHKWJTZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(2)6-11-8(3)5-9(13-4)10(11)12/h9H,1,3,5-6H2,2,4H3.
What are the key properties of 5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one?
5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one has a molecular weight of 197.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-(2-methylprop-2-enyl)-3-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 123201241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).