3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one

C13H15NO2 — CID 689214

IUPAC3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1N(Cc2ccccc2)C(=O)OC1(C)C
InChIInChI=1S/C13H15NO2/c1-10-13(2,3)16-12(15)14(10)9-11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChIKeyMWQIFUSXLCQPJT-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.93
Rot. Bonds2

About 3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one

3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one (PubChem CID 689214) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
PubChem CID689214
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one
SMILESC=C1N(Cc2ccccc2)C(=O)OC1(C)C
InChIInChI=1S/C13H15NO2/c1-10-13(2,3)16-12(15)14(10)9-11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChIKeyMWQIFUSXLCQPJT-UHFFFAOYSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The IUPAC name of 3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one (CID 689214) is 3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The canonical SMILES for 3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one is C=C1N(Cc2ccccc2)C(=O)OC1(C)C.
What is the InChIKey of 3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
The InChIKey is MWQIFUSXLCQPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-10-13(2,3)16-12(15)14(10)9-11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3.
What are the key properties of 3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one?
3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one has a molecular weight of 217.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5,5-dimethyl-4-methylidene-1,3-oxazolidin-2-one is sourced from PubChem (CID 689214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).