6-(2-methylphenyl)-1,3-oxazinan-2-one

C11H13NO2 — CID 69323043

IUPAC6-(2-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccccc1C1CCNC(=O)O1
InChIInChI=1S/C11H13NO2/c1-8-4-2-3-5-9(8)10-6-7-12-11(13)14-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeySHVZBQDYTUYJLI-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.17
Rot. Bonds1

About 6-(2-methylphenyl)-1,3-oxazinan-2-one

6-(2-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 69323043) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-(2-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(2-methylphenyl)-1,3-oxazinan-2-one
PubChem CID69323043
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-(2-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccccc1C1CCNC(=O)O1
InChIInChI=1S/C11H13NO2/c1-8-4-2-3-5-9(8)10-6-7-12-11(13)14-10/h2-5,10H,6-7H2,1H3,(H,12,13)
InChIKeySHVZBQDYTUYJLI-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 6-(2-methylphenyl)-1,3-oxazinan-2-one (CID 69323043) is 6-(2-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(2-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 6-(2-methylphenyl)-1,3-oxazinan-2-one is Cc1ccccc1C1CCNC(=O)O1.
What is the InChIKey of 6-(2-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is SHVZBQDYTUYJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-4-2-3-5-9(8)10-6-7-12-11(13)14-10/h2-5,10H,6-7H2,1H3,(H,12,13).
What are the key properties of 6-(2-methylphenyl)-1,3-oxazinan-2-one?
6-(2-methylphenyl)-1,3-oxazinan-2-one has a molecular weight of 191.23 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 69323043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).