ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one

C10H17NOS — CID 157480678

IUPACethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one
SMILESC=C1C=C(SC(C)C)C(=O)N1.CC
InChIInChI=1S/C8H11NOS.C2H6/c1-5(2)11-7-4-6(3)9-8(7)10;1-2/h4-5H,3H2,1-2H3,(H,9,10);1-2H3
InChIKeyYYDVBRKCJIWYDE-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.68
Rot. Bonds2

About ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one

ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one (PubChem CID 157480678) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one.

Molecular Properties

Compound Nameethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one
PubChem CID157480678
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Nameethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one
SMILESC=C1C=C(SC(C)C)C(=O)N1.CC
InChIInChI=1S/C8H11NOS.C2H6/c1-5(2)11-7-4-6(3)9-8(7)10;1-2/h4-5H,3H2,1-2H3,(H,9,10);1-2H3
InChIKeyYYDVBRKCJIWYDE-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one?
The IUPAC name of ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one (CID 157480678) is ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one.
What is the SMILES notation for ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one?
The canonical SMILES for ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one is C=C1C=C(SC(C)C)C(=O)N1.CC.
What is the InChIKey of ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one?
The InChIKey is YYDVBRKCJIWYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS.C2H6/c1-5(2)11-7-4-6(3)9-8(7)10;1-2/h4-5H,3H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one?
ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one has a molecular weight of 199.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylidene-3-propan-2-ylsulfanylpyrrol-2-one is sourced from PubChem (CID 157480678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).