1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one

C7H11NOS — CID 89062803

IUPAC1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one
SMILESC=C1CC(SC)C(=O)N1C
InChIInChI=1S/C7H11NOS/c1-5-4-6(10-3)7(9)8(5)2/h6H,1,4H2,2-3H3
InChIKeyDCPNFBHOPNDTKE-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.09
Rot. Bonds1

About 1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one

1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one (PubChem CID 89062803) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one
PubChem CID89062803
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one
SMILESC=C1CC(SC)C(=O)N1C
InChIInChI=1S/C7H11NOS/c1-5-4-6(10-3)7(9)8(5)2/h6H,1,4H2,2-3H3
InChIKeyDCPNFBHOPNDTKE-UHFFFAOYSA-N
XLogP1.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one?
The IUPAC name of 1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one (CID 89062803) is 1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one?
The canonical SMILES for 1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one is C=C1CC(SC)C(=O)N1C.
What is the InChIKey of 1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one?
The InChIKey is DCPNFBHOPNDTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5-4-6(10-3)7(9)8(5)2/h6H,1,4H2,2-3H3.
What are the key properties of 1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one?
1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one has a molecular weight of 157.24 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylidene-3-methylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 89062803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).