2-benzyl-2H-3,1-benzoxazine

C15H13NO — CID 151759656

IUPAC2-benzyl-2H-3,1-benzoxazine
SMILESC1=c2ccccc2=NC(Cc2ccccc2)O1
InChIInChI=1S/C15H13NO/c1-2-6-12(7-3-1)10-15-16-14-9-5-4-8-13(14)11-17-15/h1-9,11,15H,10H2
InChIKeyRQHGEYOQQMOZCR-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.64
Rot. Bonds2

About 2-benzyl-2H-3,1-benzoxazine

2-benzyl-2H-3,1-benzoxazine (PubChem CID 151759656) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-benzyl-2H-3,1-benzoxazine.

Molecular Properties

Compound Name2-benzyl-2H-3,1-benzoxazine
PubChem CID151759656
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name2-benzyl-2H-3,1-benzoxazine
SMILESC1=c2ccccc2=NC(Cc2ccccc2)O1
InChIInChI=1S/C15H13NO/c1-2-6-12(7-3-1)10-15-16-14-9-5-4-8-13(14)11-17-15/h1-9,11,15H,10H2
InChIKeyRQHGEYOQQMOZCR-UHFFFAOYSA-N
XLogP1.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2H-3,1-benzoxazine?
The IUPAC name of 2-benzyl-2H-3,1-benzoxazine (CID 151759656) is 2-benzyl-2H-3,1-benzoxazine.
What is the SMILES notation for 2-benzyl-2H-3,1-benzoxazine?
The canonical SMILES for 2-benzyl-2H-3,1-benzoxazine is C1=c2ccccc2=NC(Cc2ccccc2)O1.
What is the InChIKey of 2-benzyl-2H-3,1-benzoxazine?
The InChIKey is RQHGEYOQQMOZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-2-6-12(7-3-1)10-15-16-14-9-5-4-8-13(14)11-17-15/h1-9,11,15H,10H2.
What are the key properties of 2-benzyl-2H-3,1-benzoxazine?
2-benzyl-2H-3,1-benzoxazine has a molecular weight of 223.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2H-3,1-benzoxazine is sourced from PubChem (CID 151759656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).