1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone

C8H15NO2 — CID 23384638

IUPAC1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone
SMILESCC(=O)C1COC(C)(C)N1C
InChIInChI=1S/C8H15NO2/c1-6(10)7-5-11-8(2,3)9(7)4/h7H,5H2,1-4H3
InChIKeyBQIAIAQPAHDQPS-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.64
Rot. Bonds1

About 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone

1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone (PubChem CID 23384638) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone.

Molecular Properties

Compound Name1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone
PubChem CID23384638
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone
SMILESCC(=O)C1COC(C)(C)N1C
InChIInChI=1S/C8H15NO2/c1-6(10)7-5-11-8(2,3)9(7)4/h7H,5H2,1-4H3
InChIKeyBQIAIAQPAHDQPS-UHFFFAOYSA-N
XLogP0.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2,2,3-trimethyl-1,3-oxazolidine-4-carboxylate
CID 21015126
2,2,3-Trimethyl-1,3-oxazolidine-4-carbaldehyde
CID 21612929
2-Methyl-1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)propan-1-one
CID 22888615
(4-Acetyl-2,2-dimethyl-1,3-oxazolidin-3-yl)-methylborinic acid
CID 58815486
1-[methyl-[(3S)-oxolan-3-yl]amino]propan-2-one
CID 58870195
1-[methyl-[(3R)-oxolan-3-yl]amino]propan-2-one
CID 58870237
(4S)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde
CID 59040553
1-(2,2,3-Trimethyl-1,3-oxazolidin-4-yl)propan-1-one
CID 59110310
1-(3-Methyl-1,3-oxazolidin-2-yl)propan-2-one
CID 59653049
(4R)-2,2,3-trimethyl-1,3-oxazolidine-4-carbaldehyde
CID 59884474
1-[(4R)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]ethanone
CID 59911171
(3R)-3-(diethylamino)-4-methoxybutan-2-one
CID 87172617

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone?
The IUPAC name of 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone (CID 23384638) is 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone.
What is the SMILES notation for 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone?
The canonical SMILES for 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone is CC(=O)C1COC(C)(C)N1C.
What is the InChIKey of 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone?
The InChIKey is BQIAIAQPAHDQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)7-5-11-8(2,3)9(7)4/h7H,5H2,1-4H3.
What are the key properties of 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone?
1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone has a molecular weight of 157.21 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3-trimethyl-1,3-oxazolidin-4-yl)ethanone is sourced from PubChem (CID 23384638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).