3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one

C8H15NO2 — CID 167327792

IUPAC3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one
SMILESCC(C)C(=O)CN1CCOC1
InChIInChI=1S/C8H15NO2/c1-7(2)8(10)5-9-3-4-11-6-9/h7H,3-6H2,1-2H3
InChIKeyMYGWOJFRDCQCKK-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.50
Rot. Bonds3

About 3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one

3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one (PubChem CID 167327792) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one.

Molecular Properties

Compound Name3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one
PubChem CID167327792
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one
SMILESCC(C)C(=O)CN1CCOC1
InChIInChI=1S/C8H15NO2/c1-7(2)8(10)5-9-3-4-11-6-9/h7H,3-6H2,1-2H3
InChIKeyMYGWOJFRDCQCKK-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
1-(2-ethylmorpholin-4-yl)-3-methylbutan-2-one
CID 79396089
3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-2-one
CID 79395365
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496
3-methyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butan-2-one
CID 130663038
3-methyl-4-[1-(2-methylpropanoyl)cyclopropyl]oxy-1-morpholin-4-ylbutan-2-one
CID 167063591
1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-2-one
CID 79395843
1,3-dimorpholin-4-ylpropan-2-one
CID 139559066
1-morpholin-4-ylpropan-2-one;hydrochloride
CID 67491798
3-methyl-1-[4-[3-(1-propan-2-ylpiperidin-4-yl)oxetan-3-yl]piperidin-1-yl]butan-2-one
CID 176580016
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
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CID 79152408

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one?
The IUPAC name of 3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one (CID 167327792) is 3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one.
What is the SMILES notation for 3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one?
The canonical SMILES for 3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one is CC(C)C(=O)CN1CCOC1.
What is the InChIKey of 3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one?
The InChIKey is MYGWOJFRDCQCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2)8(10)5-9-3-4-11-6-9/h7H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one?
3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1,3-oxazolidin-3-yl)butan-2-one is sourced from PubChem (CID 167327792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).