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

C8H13NO3 — CID 10352137

IUPAC3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C8H13NO3/c1-6(2)5-7(10)9-3-4-12-8(9)11/h6H,3-5H2,1-2H3
InChIKeyFYZABKGWIADQFT-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.01
Rot. Bonds2

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

3-(3-methylbutanoyl)-1,3-oxazolidin-2-one (PubChem CID 10352137) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(3-methylbutanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
PubChem CID10352137
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
SMILESCC(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C8H13NO3/c1-6(2)5-7(10)9-3-4-12-8(9)11/h6H,3-5H2,1-2H3
InChIKeyFYZABKGWIADQFT-UHFFFAOYSA-N
XLogP1.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
3-[(3R)-3-sulfanylhexanoyl]-1,3-oxazolidin-2-one
CID 102035689
3-[(3R)-4-methyl-3-phenylpentanoyl]-1,3-oxazolidin-2-one
CID 11139889
3-(3-butylsulfanylbutanoyl)-1,3-oxazolidin-2-one
CID 11265081
3-(4-bromo-3-ethylhexanoyl)-1,3-oxazolidin-2-one
CID 15890022
3-[(3R)-3-[(2S)-5-oxo-2H-furan-2-yl]butanoyl]-1,3-oxazolidin-2-one
CID 101146579
methyl 3-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylbutanoate
CID 66112828
3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 71425573
2-[(3S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)hexan-3-yl]propanedinitrile
CID 11345675
3-(4-bromo-3-propylhexanoyl)-1,3-oxazolidin-2-one
CID 134900760
3-[(3S)-3-(4-chloro-N-methylanilino)butanoyl]-1,3-oxazolidin-2-one
CID 131853013

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-methylbutanoyl)-1,3-oxazolidin-2-one (CID 10352137) is 3-(3-methylbutanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-methylbutanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-methylbutanoyl)-1,3-oxazolidin-2-one is CC(C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-(3-methylbutanoyl)-1,3-oxazolidin-2-one?
The InChIKey is FYZABKGWIADQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(2)5-7(10)9-3-4-12-8(9)11/h6H,3-5H2,1-2H3.
What are the key properties of 3-(3-methylbutanoyl)-1,3-oxazolidin-2-one?
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10352137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).