2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one

C9H17NO2 — CID 12380214

IUPAC2-butyl-5,5-dimethyl-1,2-oxazolidin-3-one
SMILESCCCCN1C(=O)CC(O1)(C)C
InChIInChI=1S/C9H17NO2/c1-4-5-6-10-8(11)7-9(2,3)12-10/h4-7H2,1-3H3
InChIKeyLBEFGTOMMOMJDA-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.30
Rot. Bonds3

About 2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one

2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one (PubChem CID 12380214) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-butyl-5,5-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one
PubChem CID12380214
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-butyl-5,5-dimethyl-1,2-oxazolidin-3-one
SMILESCCCCN1C(=O)CC(O1)(C)C
InChIInChI=1S/C9H17NO2/c1-4-5-6-10-8(11)7-9(2,3)12-10/h4-7H2,1-3H3
InChIKeyLBEFGTOMMOMJDA-UHFFFAOYSA-N
XLogP1.30
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity177

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-Trimethyl-1,2-oxazolidin-3-one
CID 12326450
2-Ethyl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 12380219
3-Hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 53770904
2-But-3-ynyl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 59730718
1-(3-Ethylpentan-3-yloxy)pyrrolidin-2-one
CID 89535463
1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one
CID 89730131
1-(2,3-Dimethylbutan-2-yloxy)pyrrolidin-2-one
CID 89820830
Ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 177197066
5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one
CID 177197067
5,5-Dimethyl-2-propyl-1,2-oxazolidin-3-one
CID 177197073
5,5-Dimethyl-2-propan-2-yl-1,2-oxazolidin-3-one
CID 12380216
2-Butan-2-yl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 12380217

Frequently Asked Questions

What is the IUPAC name of 2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one (CID 12380214) is 2-butyl-5,5-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one is CCCCN1C(=O)CC(O1)(C)C.
What is the InChIKey of 2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is LBEFGTOMMOMJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-6-10-8(11)7-9(2,3)12-10/h4-7H2,1-3H3.
What are the key properties of 2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one?
2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 171.24 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 12380214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).