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

C9H17NO3 — CID 143100633

IUPACethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC.CCN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C7H11NO3.C2H6/c1-4-8-5(9)7(2,3)11-6(8)10;1-2/h4H2,1-3H3;1-2H3
InChIKeyRFZLXMRZZJEDPT-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.79
Rot. Bonds1

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

ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 143100633) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Nameethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID143100633
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC.CCN1C(=O)OC(C)(C)C1=O
InChIInChI=1S/C7H11NO3.C2H6/c1-4-8-5(9)7(2,3)11-6(8)10;1-2/h4H2,1-3H3;1-2H3
InChIKeyRFZLXMRZZJEDPT-UHFFFAOYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Trimethadione
CID 5576
Paramethadione
CID 8280
Ethadione
CID 10630
3-Tert-butyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 12517715
(5S)-5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 51380896
5,5-Dimethyl-3-propionyloxazolidin-2-one
CID 10535181
(S)-3-(1'-Oxopropyl)-4,5,5-trimethyloxazolidin-2-one
CID 15369461
5,5-Diethyl-3-methyl-1,3-oxazolidine-2,4-dione
CID 59834711
3-(3-(Dibutylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029635
3-(3-(Diethylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029637
3-(3-(Dimethylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029639
2,4-Oxazolidinedione, 3-isobutyl-5-methyl-
CID 3029670

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 143100633) is ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione is CC.CCN1C(=O)OC(C)(C)C1=O.
What is the InChIKey of ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is RFZLXMRZZJEDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3.C2H6/c1-4-8-5(9)7(2,3)11-6(8)10;1-2/h4H2,1-3H3;1-2H3.
What are the key properties of ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 187.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 143100633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).