3-benzyl-2H-oxazine

C11H11NO — CID 140983227

IUPAC3-benzyl-2H-oxazine
SMILESC1=CONC(Cc2ccccc2)=C1
InChIInChI=1S/C11H11NO/c1-2-5-10(6-3-1)9-11-7-4-8-13-12-11/h1-8,12H,9H2
InChIKeyOGGRIOGFWOHIIE-UHFFFAOYSA-N
MW173.21 g/mol
LogP2.16
Rot. Bonds2

About 3-benzyl-2H-oxazine

3-benzyl-2H-oxazine (PubChem CID 140983227) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-benzyl-2H-oxazine.

Molecular Properties

Compound Name3-benzyl-2H-oxazine
PubChem CID140983227
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-benzyl-2H-oxazine
SMILESC1=CONC(Cc2ccccc2)=C1
InChIInChI=1S/C11H11NO/c1-2-5-10(6-3-1)9-11-7-4-8-13-12-11/h1-8,12H,9H2
InChIKeyOGGRIOGFWOHIIE-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Tolyl-oxazine
CID 155490180

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2H-oxazine?
The IUPAC name of 3-benzyl-2H-oxazine (CID 140983227) is 3-benzyl-2H-oxazine.
What is the SMILES notation for 3-benzyl-2H-oxazine?
The canonical SMILES for 3-benzyl-2H-oxazine is C1=CONC(Cc2ccccc2)=C1.
What is the InChIKey of 3-benzyl-2H-oxazine?
The InChIKey is OGGRIOGFWOHIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-5-10(6-3-1)9-11-7-4-8-13-12-11/h1-8,12H,9H2.
What are the key properties of 3-benzyl-2H-oxazine?
3-benzyl-2H-oxazine has a molecular weight of 173.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2H-oxazine is sourced from PubChem (CID 140983227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).