3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one

C10H15NO3S — CID 101142782

IUPAC3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one
SMILESC=CCSC(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO3S/c1-3-6-15-8(2)7-9(12)11-4-5-14-10(11)13/h3,8H,1,4-7H2,2H3
InChIKeySHRVEGDMDCGIGB-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.66
Rot. Bonds5

About 3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one

3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one (PubChem CID 101142782) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one
PubChem CID101142782
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one
SMILESC=CCSC(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C10H15NO3S/c1-3-6-15-8(2)7-9(12)11-4-5-14-10(11)13/h3,8H,1,4-7H2,2H3
InChIKeySHRVEGDMDCGIGB-UHFFFAOYSA-N
XLogP1.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one (CID 101142782) is 3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one is C=CCSC(C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is SHRVEGDMDCGIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-6-15-8(2)7-9(12)11-4-5-14-10(11)13/h3,8H,1,4-7H2,2H3.
What are the key properties of 3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one?
3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 229.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-prop-2-enylsulfanylbutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 101142782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).