5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one

C11H19NOS — CID 121344644

IUPAC5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
SMILESC=C1CC(SC(C)C)C(=O)N1C(C)C
InChIInChI=1S/C11H19NOS/c1-7(2)12-9(5)6-10(11(12)13)14-8(3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyMRXAADLTIPETFI-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.65
Rot. Bonds3

About 5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one

5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one (PubChem CID 121344644) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
PubChem CID121344644
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
SMILESC=C1CC(SC(C)C)C(=O)N1C(C)C
InChIInChI=1S/C11H19NOS/c1-7(2)12-9(5)6-10(11(12)13)14-8(3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyMRXAADLTIPETFI-UHFFFAOYSA-N
XLogP2.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The IUPAC name of 5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one (CID 121344644) is 5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one.
What is the SMILES notation for 5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The canonical SMILES for 5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one is C=C1CC(SC(C)C)C(=O)N1C(C)C.
What is the InChIKey of 5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
The InChIKey is MRXAADLTIPETFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-7(2)12-9(5)6-10(11(12)13)14-8(3)4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one?
5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one has a molecular weight of 213.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one is sourced from PubChem (CID 121344644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).