3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one

C12H22N2O2 — CID 115065107

IUPAC3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESCC(C)(C)CN1CC(C2CCNC2)OC1=O
InChIInChI=1S/C12H22N2O2/c1-12(2,3)8-14-7-10(16-11(14)15)9-4-5-13-6-9/h9-10,13H,4-8H2,1-3H3
InChIKeyGKNUBIAUBJDBCK-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.46
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one

3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one (PubChem CID 115065107) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
PubChem CID115065107
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
SMILESCC(C)(C)CN1CC(C2CCNC2)OC1=O
InChIInChI=1S/C12H22N2O2/c1-12(2,3)8-14-7-10(16-11(14)15)9-4-5-13-6-9/h9-10,13H,4-8H2,1-3H3
InChIKeyGKNUBIAUBJDBCK-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-5-piperidin-4-yl-1,3-oxazolidin-2-one
CID 115064909
3-[(2-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065131
3-[(4-hydroxyphenyl)methyl]-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065142
5-pyrrolidin-3-yl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 115065111
3-[(4-fluorophenyl)methyl]-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065038
3-(2-hydroxyphenyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065078
3-cyclopropyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115064955
6-(2,2-dimethylpropyl)-2,3,4,4a,5,7,8,8a-octahydro-1H-2,6-naphthyridine;ethane
CID 166478789
3-[(3-hydroxyphenyl)methyl]-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065022
3-(1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridin-2-yl)-2,2-dimethylpropanoic acid
CID 175558595
3-(3-hydroxyphenyl)-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115064972
4-tert-butyl-6-piperidin-3-ylmorpholin-3-one
CID 115067876

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one (CID 115065107) is 3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one is CC(C)(C)CN1CC(C2CCNC2)OC1=O.
What is the InChIKey of 3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is GKNUBIAUBJDBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)8-14-7-10(16-11(14)15)9-4-5-13-6-9/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one?
3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115065107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).