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

C11H13NO2 — CID 105444857

IUPAC6-(3-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1cccc(C2CCNC(=O)O2)c1
InChIInChI=1S/C11H13NO2/c1-8-3-2-4-9(7-8)10-5-6-12-11(13)14-10/h2-4,7,10H,5-6H2,1H3,(H,12,13)
InChIKeyNVERTSDFRTWIRJ-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.17
Rot. Bonds1

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

6-(3-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 105444857) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-(3-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(3-methylphenyl)-1,3-oxazinan-2-one
PubChem CID105444857
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-(3-methylphenyl)-1,3-oxazinan-2-one
SMILESCc1cccc(C2CCNC(=O)O2)c1
InChIInChI=1S/C11H13NO2/c1-8-3-2-4-9(7-8)10-5-6-12-11(13)14-10/h2-4,7,10H,5-6H2,1H3,(H,12,13)
InChIKeyNVERTSDFRTWIRJ-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-(3-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 6-(3-methylphenyl)-1,3-oxazinan-2-one (CID 105444857) is 6-(3-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(3-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 6-(3-methylphenyl)-1,3-oxazinan-2-one is Cc1cccc(C2CCNC(=O)O2)c1.
What is the InChIKey of 6-(3-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is NVERTSDFRTWIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8-3-2-4-9(7-8)10-5-6-12-11(13)14-10/h2-4,7,10H,5-6H2,1H3,(H,12,13).
What are the key properties of 6-(3-methylphenyl)-1,3-oxazinan-2-one?
6-(3-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-(3-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 105444857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).