2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one

C12H23NO2 — CID 110740774

IUPAC2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one
SMILESCCC(CC)C(=O)N1C(C)OCC1(C)C
InChIInChI=1S/C12H23NO2/c1-6-10(7-2)11(14)13-9(3)15-8-12(13,4)5/h9-10H,6-8H2,1-5H3
InChIKeyQCDVFOYERMIOHA-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds3

About 2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one

2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one (PubChem CID 110740774) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one
PubChem CID110740774
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one
SMILESCCC(CC)C(=O)N1C(C)OCC1(C)C
InChIInChI=1S/C12H23NO2/c1-6-10(7-2)11(14)13-9(3)15-8-12(13,4)5/h9-10H,6-8H2,1-5H3
InChIKeyQCDVFOYERMIOHA-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone
CID 110740805
2-bromo-1-(2,2,4-trimethylazetidin-1-yl)butan-1-one
CID 142675199
(2,6-dimethoxyphenyl)-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)methanone
CID 110740794
2-ethyl-1-(5-hydroxy-2,2-dimethylpiperidin-1-yl)butan-1-one
CID 115269393
4-(2-ethylbutanoyl)piperazine-2,6-dione
CID 66084705
2-ethyl-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-1-one
CID 66213054
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
CID 64604130
1-(2,3-dimethylpiperazin-1-yl)-2-ethylbutan-1-one;hydrochloride
CID 120613613
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-ethylbutan-1-one
CID 114781639
4-(2-ethylbutanoyl)-3-methylpiperazin-2-one
CID 63606068

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one?
The IUPAC name of 2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one (CID 110740774) is 2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one.
What is the SMILES notation for 2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one?
The canonical SMILES for 2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one is CCC(CC)C(=O)N1C(C)OCC1(C)C.
What is the InChIKey of 2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one?
The InChIKey is QCDVFOYERMIOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-10(7-2)11(14)13-9(3)15-8-12(13,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one?
2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one has a molecular weight of 213.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)butan-1-one is sourced from PubChem (CID 110740774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).