3,4,4-trimethyl-1,3-oxazolidin-2-one

C6H11NO2 — CID 22949116

IUPAC3,4,4-trimethyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1(C)C
InChIInChI=1S/C6H11NO2/c1-6(2)4-9-5(8)7(6)3/h4H2,1-3H3
InChIKeyKVPZSRWPDYRSRG-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.85
Rot. Bonds

About 3,4,4-trimethyl-1,3-oxazolidin-2-one

3,4,4-trimethyl-1,3-oxazolidin-2-one (PubChem CID 22949116) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3,4,4-trimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3,4,4-trimethyl-1,3-oxazolidin-2-one
PubChem CID22949116
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3,4,4-trimethyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OCC1(C)C
InChIInChI=1S/C6H11NO2/c1-6(2)4-9-5(8)7(6)3/h4H2,1-3H3
InChIKeyKVPZSRWPDYRSRG-UHFFFAOYSA-N
XLogP0.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3,4,4-trimethyl-1,3-oxazolidin-2-one (CID 22949116) is 3,4,4-trimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3,4,4-trimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3,4,4-trimethyl-1,3-oxazolidin-2-one is CN1C(=O)OCC1(C)C.
What is the InChIKey of 3,4,4-trimethyl-1,3-oxazolidin-2-one?
The InChIKey is KVPZSRWPDYRSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(2)4-9-5(8)7(6)3/h4H2,1-3H3.
What are the key properties of 3,4,4-trimethyl-1,3-oxazolidin-2-one?
3,4,4-trimethyl-1,3-oxazolidin-2-one has a molecular weight of 129.16 g/mol, XLogP of 0.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22949116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).