3-(2-methylpropanoyl)-1,3-oxazolidin-2-one

C7H11NO3 — CID 10397067

IUPAC3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)C(=O)N1CCOC1=O
InChIInChI=1S/C7H11NO3/c1-5(2)6(9)8-3-4-11-7(8)10/h5H,3-4H2,1-2H3
InChIKeyARSHJRVEDWAOQX-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.62
Rot. Bonds1

About 3-(2-methylpropanoyl)-1,3-oxazolidin-2-one

3-(2-methylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 10397067) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-(2-methylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID10397067
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)C(=O)N1CCOC1=O
InChIInChI=1S/C7H11NO3/c1-5(2)6(9)8-3-4-11-7(8)10/h5H,3-4H2,1-2H3
InChIKeyARSHJRVEDWAOQX-UHFFFAOYSA-N
XLogP0.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 71425573
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-(3-hydroxy-2-methyl-3-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 10682057
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689
3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one
CID 102445066
methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate
CID 66112828
3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-[(3S)-3-(4-chloro-N-methylanilino)butanoyl]-1,3-oxazolidin-2-one
CID 131853013
3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143579
3-(4-bromo-3-ethylhexanoyl)-1,3-oxazolidin-2-one
CID 15890022

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-methylpropanoyl)-1,3-oxazolidin-2-one (CID 10397067) is 3-(2-methylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-methylpropanoyl)-1,3-oxazolidin-2-one is CC(C)C(=O)N1CCOC1=O.
What is the InChIKey of 3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is ARSHJRVEDWAOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(2)6(9)8-3-4-11-7(8)10/h5H,3-4H2,1-2H3.
What are the key properties of 3-(2-methylpropanoyl)-1,3-oxazolidin-2-one?
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 157.17 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10397067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).