5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione

C7H9NO3 — CID 10683

💊View drug profile → allomethadione
IUPAC5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione
SMILESC=CCN1C(=O)OC(C)C1=O
InChIInChI=1S/C7H9NO3/c1-3-4-8-6(9)5(2)11-7(8)10/h3,5H,1,4H2,2H3
InChIKeyXWZXRENCCHMZNF-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.54
Rot. Bonds2

About 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione

5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione (PubChem CID 10683) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione
PubChem CID10683
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione
SMILESC=CCN1C(=O)OC(C)C1=O
InChIInChI=1S/C7H9NO3/c1-3-4-8-6(9)5(2)11-7(8)10/h3,5H,1,4H2,2H3
InChIKeyXWZXRENCCHMZNF-UHFFFAOYSA-N
XLogP0.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Allyl-5-methyl-1,3-oxazolidin-2-one
CID 534901
Allomethadione sodium
CID 91810501
3-Ethyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 13892512
3-Prop-2-enyl-1,3-oxazolidine-2,4-dione
CID 44220452
3-Prop-2-enyl-1,3-oxazolidin-4-one
CID 69621688
5-Methyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 70514215
5-Ethenyl-3-methyl-1,3-oxazolidine-2,4-dione
CID 141006694
3-But-2-enoyl-5-methyl-1,3-oxazolidin-2-one
CID 141098861
3-Prop-2-enyl-1,3-oxazolidin-2-id-4-one
CID 154421048
Propanoic acid;3-prop-2-enyl-1,3-oxazolidine-2,4-dione
CID 175577873
(S)-allomethadione
CID 76956768
2,4-Oxazolidinedione, 3-allyl-5-methyl-, (R)-
CID 76956769

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione (CID 10683) is 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione is C=CCN1C(=O)OC(C)C1=O.
What is the InChIKey of 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione?
The InChIKey is XWZXRENCCHMZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-3-4-8-6(9)5(2)11-7(8)10/h3,5H,1,4H2,2H3.
What are the key properties of 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione?
5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione has a molecular weight of 155.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-prop-2-enyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 10683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).