5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one

C9H17NO2 — CID 177197067

IUPAC5,5-dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one
SMILESCC(C)CN1C(=O)CC(O1)(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)6-10-8(11)5-9(3,4)12-10/h7H,5-6H2,1-4H3
InChIKeyMNSMDTHSNLIWRP-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.40
Rot. Bonds2

About 5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one

5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one (PubChem CID 177197067) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one
PubChem CID177197067
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5,5-dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one
SMILESCC(C)CN1C(=O)CC(O1)(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)6-10-8(11)5-9(3,4)12-10/h7H,5-6H2,1-4H3
InChIKeyMNSMDTHSNLIWRP-UHFFFAOYSA-N
XLogP1.40
TPSA29.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity187

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.40
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
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
3-Methyl-1-(1,2-oxazolidin-2-yl)butan-1-one
CID 104103502
2,4-Diethyl-1,2-oxazolidin-3-one
CID 148366661
Ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 177197066
5,5-Dimethyl-2-propyl-1,2-oxazolidin-3-one
CID 177197073
2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 12380214
5,5-Dimethyl-2-propan-2-yl-1,2-oxazolidin-3-one
CID 12380216

Frequently Asked Questions

What is the IUPAC name of 5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one?
The IUPAC name of 5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one (CID 177197067) is 5,5-dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one is CC(C)CN1C(=O)CC(O1)(C)C.
What is the InChIKey of 5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one?
The InChIKey is MNSMDTHSNLIWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)6-10-8(11)5-9(3,4)12-10/h7H,5-6H2,1-4H3.
What are the key properties of 5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one?
5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one has a molecular weight of 171.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 177197067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).