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

C7H13NO2 — CID 59653049

IUPAC1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one
SMILESCC(=O)CC1OCCN1C
InChIInChI=1S/C7H13NO2/c1-6(9)5-7-8(2)3-4-10-7/h7H,3-5H2,1-2H3
InChIKeyVNVJWYLEGXBYQY-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.25
Rot. Bonds2

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

1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one (PubChem CID 59653049) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one
PubChem CID59653049
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one
SMILESCC(=O)CC1OCCN1C
InChIInChI=1S/C7H13NO2/c1-6(9)5-7-8(2)3-4-10-7/h7H,3-5H2,1-2H3
InChIKeyVNVJWYLEGXBYQY-UHFFFAOYSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one?
The IUPAC name of 1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one (CID 59653049) is 1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one.
What is the SMILES notation for 1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one?
The canonical SMILES for 1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one is CC(=O)CC1OCCN1C.
What is the InChIKey of 1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one?
The InChIKey is VNVJWYLEGXBYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(9)5-7-8(2)3-4-10-7/h7H,3-5H2,1-2H3.
What are the key properties of 1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one?
1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one has a molecular weight of 143.19 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,3-oxazolidin-2-yl)propan-2-one is sourced from PubChem (CID 59653049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).