4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one

C11H14N2O2 — CID 19987510

IUPAC4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2ccccn2)C1=O
InChIInChI=1S/C11H14N2O2/c1-11(2)8-15-13(10(11)14)7-9-5-3-4-6-12-9/h3-6H,7-8H2,1-2H3
InChIKeyGVWLKCYPWOKPNV-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.38
Rot. Bonds2

About 4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one

4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one (PubChem CID 19987510) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one
PubChem CID19987510
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one
SMILESCC1(C)CON(Cc2ccccn2)C1=O
InChIInChI=1S/C11H14N2O2/c1-11(2)8-15-13(10(11)14)7-9-5-3-4-6-12-9/h3-6H,7-8H2,1-2H3
InChIKeyGVWLKCYPWOKPNV-UHFFFAOYSA-N
XLogP1.38
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one?
The IUPAC name of 4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one (CID 19987510) is 4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one.
What is the SMILES notation for 4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one?
The canonical SMILES for 4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one is CC1(C)CON(Cc2ccccn2)C1=O.
What is the InChIKey of 4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one?
The InChIKey is GVWLKCYPWOKPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2)8-15-13(10(11)14)7-9-5-3-4-6-12-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one?
4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one has a molecular weight of 206.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(pyridin-2-ylmethyl)-1,2-oxazolidin-3-one is sourced from PubChem (CID 19987510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).