3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione

C7H11NO3 — CID 10630

💊View drug profile → ethadione
IUPAC3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCCN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3
InChIKeySIGSNYAYBSJATD-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.76
Rot. Bonds1

About 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione

3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 10630) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID10630
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCCN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3
InChIKeySIGSNYAYBSJATD-UHFFFAOYSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Trimethadione
CID 5576
Paramethadione
CID 8280
3-Tert-butyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 12517715
2,4-Oxazolidinedione, 3-(hydroxymethyl)-5,5-dimethyl-
CID 321498
(5S)-5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 51380896
(S)-3-(1'-Oxopropyl)-4,5,5-trimethyloxazolidin-2-one
CID 15369461
5,5-Dimethyl-3-propionyloxazolidin-2-one
CID 10535181
2,4-Oxazolidinedione, 3-isobutyl-5-methyl-
CID 3029670
2,4-Dioxo-N,N,N,5,5-pentamethyl-3-oxazolidinebutanaminium iodide
CID 11971969
3-Ethyl-5,5-dimethyl-1,3-oxazolidin-2-one
CID 12597414
3-Ethyl-5-methyl-1,3-oxazolidine-2,4-dione
CID 13892512
3,5-Diethyl-1,3-oxazolidine-2,4-dione
CID 13892514

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 10630) is 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione is CCN1C(=O)OC(C)(C)C1=O.
What is the InChIKey of 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is SIGSNYAYBSJATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3.
What are the key properties of 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 157.17 g/mol, XLogP of 0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 10630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).