3-Isoxazolidinone, 2-ethyl-
Basic information
- CAS
40784-14-3- Standard SMILES
CCN1OCCC1=O- InChIKey
VMZCBTOGEBQZLG-UHFFFAOYSA-N- Molecular formula
- C5H9NO2
- Average molar mass
- 115.13 g/mol
- Monoisotopic mass
- 115.06332853
Names & identifiers
- Preferred name
- 3-Isoxazolidinone, 2-ethyl-
- IUPAC
- 2-ethyl-1,2-oxazolidin-3-one
Names & synonyms
3-ISOXAZOLIDINONE, 2-ETHYL-2-Ethylisoxazolid-3(2H)-oneBRN 063631740784-14-3DTXSID30193772RefChem:280285DTXCID701162632-ethyl-1,2-oxazolidin-3-oneSCHEMBL2301820SCHEMBL12293895SCHEMBL16612581
Database identifiers
- CAS
40784-14-3- PubChem CID
- 38675
- DTXSID
DTXSID30193772- Nikkaji
- J96.746G
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
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Compound notes
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