5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione

C8H13NO3 — CID 3029670

IUPAC5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)CN1C(=O)OC(C)C1=O
InChIInChI=1S/C8H13NO3/c1-5(2)4-9-7(10)6(3)12-8(9)11/h5-6H,4H2,1-3H3
InChIKeyFFFOZBWGIVSVFM-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.01
Rot. Bonds2

About 5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione

5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione (PubChem CID 3029670) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione
PubChem CID3029670
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione
SMILESCC(C)CN1C(=O)OC(C)C1=O
InChIInChI=1S/C8H13NO3/c1-5(2)4-9-7(10)6(3)12-8(9)11/h5-6H,4H2,1-3H3
InChIKeyFFFOZBWGIVSVFM-UHFFFAOYSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethadione
CID 10630
3,5-Dimethyl-1,3-oxazolidine-2,4-dione
CID 185896
2-(2-Methylpropoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 47030865
3-(2,2-Dimethylpropanoyl)-1,3-oxazolidin-2-one
CID 9989671
Ethyl-methyl-oxazolidinedione
CID 13892513
3-(3-Methylbutanoyl)oxazolidin-2-one
CID 10352137
3-(2-Methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
2,4-Oxazolidinedione, 3-pentyl-
CID 66862802
3-(2,4-Dioxo-1,3-oxazolidin-3-yl)propyl-trimethylazanium
CID 52030
3-(4-(Dibutylamino)butyl)-2,4-oxazolidinedione
CID 3029634
3-(3-(Dibutylamino)propyl)-5-methyl-2,4-oxazolidinedione
CID 3029635
3-(4-(Diethylamino)butyl)-2,4-oxazolidinedione
CID 3029636

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione (CID 3029670) is 5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione is CC(C)CN1C(=O)OC(C)C1=O.
What is the InChIKey of 5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
The InChIKey is FFFOZBWGIVSVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(2)4-9-7(10)6(3)12-8(9)11/h5-6H,4H2,1-3H3.
What are the key properties of 5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione?
5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione has a molecular weight of 171.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropyl)-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 3029670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).