4-methyl-4-phenyl-1,3-oxazinan-2-one

C11H13NO2 — CID 105444856

IUPAC4-methyl-4-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCOC(=O)N1
InChIInChI=1S/C11H13NO2/c1-11(7-8-14-10(13)12-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyRQPBJGVKMMMHGV-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.03
Rot. Bonds1

About 4-methyl-4-phenyl-1,3-oxazinan-2-one

4-methyl-4-phenyl-1,3-oxazinan-2-one (PubChem CID 105444856) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-methyl-4-phenyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-methyl-4-phenyl-1,3-oxazinan-2-one
PubChem CID105444856
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-methyl-4-phenyl-1,3-oxazinan-2-one
SMILESCC1(c2ccccc2)CCOC(=O)N1
InChIInChI=1S/C11H13NO2/c1-11(7-8-14-10(13)12-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
InChIKeyRQPBJGVKMMMHGV-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyl-1,3-oxazinan-2-one?
The IUPAC name of 4-methyl-4-phenyl-1,3-oxazinan-2-one (CID 105444856) is 4-methyl-4-phenyl-1,3-oxazinan-2-one.
What is the SMILES notation for 4-methyl-4-phenyl-1,3-oxazinan-2-one?
The canonical SMILES for 4-methyl-4-phenyl-1,3-oxazinan-2-one is CC1(c2ccccc2)CCOC(=O)N1.
What is the InChIKey of 4-methyl-4-phenyl-1,3-oxazinan-2-one?
The InChIKey is RQPBJGVKMMMHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-11(7-8-14-10(13)12-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13).
What are the key properties of 4-methyl-4-phenyl-1,3-oxazinan-2-one?
4-methyl-4-phenyl-1,3-oxazinan-2-one has a molecular weight of 191.23 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105444856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).