4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one

C10H17NOS — CID 134333362

IUPAC4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1CC(SCC)CC1=O
InChIInChI=1S/C10H17NOS/c1-4-13-9-5-10(12)11(7-9)6-8(2)3/h9H,2,4-7H2,1,3H3
InChIKeyQMICPQYIZAIGFV-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.92
Rot. Bonds4

About 4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one

4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one (PubChem CID 134333362) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one
PubChem CID134333362
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one
SMILESC=C(C)CN1CC(SCC)CC1=O
InChIInChI=1S/C10H17NOS/c1-4-13-9-5-10(12)11(7-9)6-8(2)3/h9H,2,4-7H2,1,3H3
InChIKeyQMICPQYIZAIGFV-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.92
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 4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The IUPAC name of 4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one (CID 134333362) is 4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one is C=C(C)CN1CC(SCC)CC1=O.
What is the InChIKey of 4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
The InChIKey is QMICPQYIZAIGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-4-13-9-5-10(12)11(7-9)6-8(2)3/h9H,2,4-7H2,1,3H3.
What are the key properties of 4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one?
4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one has a molecular weight of 199.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1-(2-methylprop-2-enyl)pyrrolidin-2-one is sourced from PubChem (CID 134333362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).