3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one

C6H7NO2S — CID 3023061

IUPAC3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESC=CCN1C(=O)COC1=S
InChIInChI=1S/C6H7NO2S/c1-2-3-7-5(8)4-9-6(7)10/h2H,1,3-4H2
InChIKeyJXKVDYIOQSBMQG-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.32
Rot. Bonds2

About 3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one

3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 3023061) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one
PubChem CID3023061
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one
SMILESC=CCN1C(=O)COC1=S
InChIInChI=1S/C6H7NO2S/c1-2-3-7-5(8)4-9-6(7)10/h2H,1,3-4H2
InChIKeyJXKVDYIOQSBMQG-UHFFFAOYSA-N
XLogP0.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The IUPAC name of 3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one (CID 3023061) is 3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The canonical SMILES for 3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one is C=CCN1C(=O)COC1=S.
What is the InChIKey of 3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one?
The InChIKey is JXKVDYIOQSBMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-2-3-7-5(8)4-9-6(7)10/h2H,1,3-4H2.
What are the key properties of 3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one?
3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 157.19 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 3023061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).