5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one

C9H16N2OS — CID 3981587

IUPAC5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one
SMILESC=CCN1CNC(CCSC)C1=O
InChIInChI=1S/C9H16N2OS/c1-3-5-11-7-10-8(9(11)12)4-6-13-2/h3,8,10H,1,4-7H2,2H3
InChIKeyWBFLBYYFXJWXHW-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.68
Rot. Bonds5

About 5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one

5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one (PubChem CID 3981587) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one
PubChem CID3981587
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one
SMILESC=CCN1CNC(CCSC)C1=O
InChIInChI=1S/C9H16N2OS/c1-3-5-11-7-10-8(9(11)12)4-6-13-2/h3,8,10H,1,4-7H2,2H3
InChIKeyWBFLBYYFXJWXHW-UHFFFAOYSA-N
XLogP0.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one?
The IUPAC name of 5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one (CID 3981587) is 5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one?
The canonical SMILES for 5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one is C=CCN1CNC(CCSC)C1=O.
What is the InChIKey of 5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one?
The InChIKey is WBFLBYYFXJWXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-3-5-11-7-10-8(9(11)12)4-6-13-2/h3,8,10H,1,4-7H2,2H3.
What are the key properties of 5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one?
5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one has a molecular weight of 200.31 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-3-prop-2-enylimidazolidin-4-one is sourced from PubChem (CID 3981587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).