2-butyl-1,2-oxazolidin-3-one

C7H13NO2 — CID 158738258

IUPAC2-butyl-1,2-oxazolidin-3-one
SMILESCCCCN1OCCC1=O
InChIInChI=1S/C7H13NO2/c1-2-3-5-8-7(9)4-6-10-8/h2-6H2,1H3
InChIKeyILYPTDMQIVXOLP-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.95
Rot. Bonds3

About 2-butyl-1,2-oxazolidin-3-one

2-butyl-1,2-oxazolidin-3-one (PubChem CID 158738258) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-butyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-butyl-1,2-oxazolidin-3-one
PubChem CID158738258
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-butyl-1,2-oxazolidin-3-one
SMILESCCCCN1OCCC1=O
InChIInChI=1S/C7H13NO2/c1-2-3-5-8-7(9)4-6-10-8/h2-6H2,1H3
InChIKeyILYPTDMQIVXOLP-UHFFFAOYSA-N
XLogP0.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-butyl-1,2-oxazolidin-3-one (CID 158738258) is 2-butyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-butyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-butyl-1,2-oxazolidin-3-one is CCCCN1OCCC1=O.
What is the InChIKey of 2-butyl-1,2-oxazolidin-3-one?
The InChIKey is ILYPTDMQIVXOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-5-8-7(9)4-6-10-8/h2-6H2,1H3.
What are the key properties of 2-butyl-1,2-oxazolidin-3-one?
2-butyl-1,2-oxazolidin-3-one has a molecular weight of 143.19 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 158738258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).