5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one

C8H13NO3 — CID 126971671

IUPAC5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one
SMILESCC(=O)CCN1CC(C)OC1=O
InChIInChI=1S/C8H13NO3/c1-6(10)3-4-9-5-7(2)12-8(9)11/h7H,3-5H2,1-2H3
InChIKeyNRJYXKNVLQLVSI-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.81
Rot. Bonds3

About 5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one

5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one (PubChem CID 126971671) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one
PubChem CID126971671
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one
SMILESCC(=O)CCN1CC(C)OC1=O
InChIInChI=1S/C8H13NO3/c1-6(10)3-4-9-5-7(2)12-8(9)11/h7H,3-5H2,1-2H3
InChIKeyNRJYXKNVLQLVSI-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one (CID 126971671) is 5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one is CC(=O)CCN1CC(C)OC1=O.
What is the InChIKey of 5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one?
The InChIKey is NRJYXKNVLQLVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(10)3-4-9-5-7(2)12-8(9)11/h7H,3-5H2,1-2H3.
What are the key properties of 5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one?
5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(3-oxobutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 126971671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).