2,4,4-trimethyl-1,3-oxazolidin-5-one

C6H11NO2 — CID 59305980

IUPAC2,4,4-trimethyl-1,3-oxazolidin-5-one
SMILESCC1NC(C)(C)C(=O)O1
InChIInChI=1S/C6H11NO2/c1-4-7-6(2,3)5(8)9-4/h4,7H,1-3H3
InChIKeyREERHVJWLZXYTC-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.26
Rot. Bonds

About 2,4,4-trimethyl-1,3-oxazolidin-5-one

2,4,4-trimethyl-1,3-oxazolidin-5-one (PubChem CID 59305980) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2,4,4-trimethyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name2,4,4-trimethyl-1,3-oxazolidin-5-one
PubChem CID59305980
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2,4,4-trimethyl-1,3-oxazolidin-5-one
SMILESCC1NC(C)(C)C(=O)O1
InChIInChI=1S/C6H11NO2/c1-4-7-6(2,3)5(8)9-4/h4,7H,1-3H3
InChIKeyREERHVJWLZXYTC-UHFFFAOYSA-N
XLogP0.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(ethylamino)-2-methylpropanoate
CID 43726158
5-Oxazolidinone, 2-(1,1-dimethylethyl)-
CID 55299897
Ethyl 2-methyl-2-(methylamino)propanoate
CID 12634159
4-Ethyl-4-methyl-2-(trifluoromethyl)-1,3-oxazolidin-5-one
CID 70024940
2-Ethyl-1,3-oxazolidin-5-one
CID 18801026
2-Methyl-1,3-oxazolidin-5-one
CID 19595572
Ethyl 1,3-oxazolidine-4-carboxylate
CID 20437351
2,4-Dimethyl-1,3-oxazolidin-5-one
CID 23529460
Methyl 2-methyloxazolidine-2-carboxylate
CID 45086649
Methyl 2,2-dimethyloxazolidine-4-carboxylate
CID 45090330
(S)-methyl 2,2-dimethyloxazolidine-4-carboxylate
CID 45090331
Methyl 2-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 53885601

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1,3-oxazolidin-5-one?
The IUPAC name of 2,4,4-trimethyl-1,3-oxazolidin-5-one (CID 59305980) is 2,4,4-trimethyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 2,4,4-trimethyl-1,3-oxazolidin-5-one?
The canonical SMILES for 2,4,4-trimethyl-1,3-oxazolidin-5-one is CC1NC(C)(C)C(=O)O1.
What is the InChIKey of 2,4,4-trimethyl-1,3-oxazolidin-5-one?
The InChIKey is REERHVJWLZXYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4-7-6(2,3)5(8)9-4/h4,7H,1-3H3.
What are the key properties of 2,4,4-trimethyl-1,3-oxazolidin-5-one?
2,4,4-trimethyl-1,3-oxazolidin-5-one has a molecular weight of 129.16 g/mol, XLogP of 0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 59305980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).