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

C9H17NO3 — CID 103021021

IUPAC3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCO1
InChIInChI=1S/C9H17NO3/c1-9(2,12-3)7-8(11)10-5-4-6-13-10/h4-7H2,1-3H3
InChIKeyZTSMASKPFXZOPY-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.97
Rot. Bonds3

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

3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one (PubChem CID 103021021) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one
PubChem CID103021021
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one
SMILESCOC(C)(C)CC(=O)N1CCCO1
InChIInChI=1S/C9H17NO3/c1-9(2,12-3)7-8(11)10-5-4-6-13-10/h4-7H2,1-3H3
InChIKeyZTSMASKPFXZOPY-UHFFFAOYSA-N
XLogP0.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one?
The IUPAC name of 3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one (CID 103021021) is 3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one.
What is the SMILES notation for 3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one?
The canonical SMILES for 3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one is COC(C)(C)CC(=O)N1CCCO1.
What is the InChIKey of 3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one?
The InChIKey is ZTSMASKPFXZOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,12-3)7-8(11)10-5-4-6-13-10/h4-7H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one?
3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one has a molecular weight of 187.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-(1,2-oxazolidin-2-yl)butan-1-one is sourced from PubChem (CID 103021021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).