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

C6H8NO2- — CID 154421048

IUPAC3-prop-2-enyl-1,3-oxazolidin-2-id-4-one
SMILESC=CCN1[CH-]OCC1=O
InChIInChI=1S/C6H8NO2/c1-2-3-7-5-9-4-6(7)8/h2,5H,1,3-4H2/q-1
InChIKeyRTGGVZUVYDVACX-UHFFFAOYSA-N
MW126.13 g/mol
LogP0.15
Rot. Bonds2

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

3-prop-2-enyl-1,3-oxazolidin-2-id-4-one (PubChem CID 154421048) has the molecular formula C6H8NO2- and a molecular weight of 126.13 g/mol. Its IUPAC name is 3-prop-2-enyl-1,3-oxazolidin-2-id-4-one.

Molecular Properties

Compound Name3-prop-2-enyl-1,3-oxazolidin-2-id-4-one
PubChem CID154421048
Molecular FormulaC6H8NO2-
Molecular Weight126.13 g/mol
Exact Mass126.06
IUPAC Name3-prop-2-enyl-1,3-oxazolidin-2-id-4-one
SMILESC=CCN1[CH-]OCC1=O
InChIInChI=1S/C6H8NO2/c1-2-3-7-5-9-4-6(7)8/h2,5H,1,3-4H2/q-1
InChIKeyRTGGVZUVYDVACX-UHFFFAOYSA-N
XLogP0.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-3-(2-propen-1-yl)-2,4-oxazolidinedione
CID 10683
Vinylmethyloxazolidinone
CID 11446331
3-Allyl-2-thioxooxazolidin-4-one
CID 3023061
2-(fluoromethoxy)-N-methyl-N-prop-2-enylacetamide
CID 88551603
1-(1,3-Oxazolidin-3-yl)prop-2-en-1-one
CID 10898727
3-Prop-2-enyl-1,3-oxazolidine-2,4-dione
CID 44220452
3-(1-Hydroxyprop-2-enyl)-1,3-oxazolidin-4-one
CID 67712152
3-Prop-2-enyl-1,3-oxazolidin-4-one
CID 69621688
3-Prop-2-enoyl-1,3-oxazolidin-4-one
CID 70587818
(E)-4-(4-oxo-1,3-oxazolidin-3-yl)but-2-enoyl iodide
CID 126732202
3-Prop-2-enoyl-1,3-oxazolidin-2-id-4-one
CID 154418111
3-But-3-enyl-1,3-oxazolidin-2-id-4-one
CID 154421049

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1,3-oxazolidin-2-id-4-one?
The IUPAC name of 3-prop-2-enyl-1,3-oxazolidin-2-id-4-one (CID 154421048) is 3-prop-2-enyl-1,3-oxazolidin-2-id-4-one.
What is the SMILES notation for 3-prop-2-enyl-1,3-oxazolidin-2-id-4-one?
The canonical SMILES for 3-prop-2-enyl-1,3-oxazolidin-2-id-4-one is C=CCN1[CH-]OCC1=O.
What is the InChIKey of 3-prop-2-enyl-1,3-oxazolidin-2-id-4-one?
The InChIKey is RTGGVZUVYDVACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO2/c1-2-3-7-5-9-4-6(7)8/h2,5H,1,3-4H2/q-1.
What are the key properties of 3-prop-2-enyl-1,3-oxazolidin-2-id-4-one?
3-prop-2-enyl-1,3-oxazolidin-2-id-4-one has a molecular weight of 126.13 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1,3-oxazolidin-2-id-4-one is sourced from PubChem (CID 154421048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).