3-benzylidene-6H-oxazine

C11H11NO — CID 66808048

IUPAC3-benzylidene-6H-oxazine
SMILESC1=CC(=Cc2ccccc2)NOC1
InChIInChI=1S/C11H11NO/c1-2-5-10(6-3-1)9-11-7-4-8-13-12-11/h1-7,9,12H,8H2
InChIKeyNSQXRHFOKGWJCS-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.12
Rot. Bonds1

About 3-benzylidene-6H-oxazine

3-benzylidene-6H-oxazine (PubChem CID 66808048) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 3-benzylidene-6H-oxazine.

Molecular Properties

Compound Name3-benzylidene-6H-oxazine
PubChem CID66808048
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name3-benzylidene-6H-oxazine
SMILESC1=CC(=Cc2ccccc2)NOC1
InChIInChI=1S/C11H11NO/c1-2-5-10(6-3-1)9-11-7-4-8-13-12-11/h1-7,9,12H,8H2
InChIKeyNSQXRHFOKGWJCS-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-6H-oxazine?
The IUPAC name of 3-benzylidene-6H-oxazine (CID 66808048) is 3-benzylidene-6H-oxazine.
What is the SMILES notation for 3-benzylidene-6H-oxazine?
The canonical SMILES for 3-benzylidene-6H-oxazine is C1=CC(=Cc2ccccc2)NOC1.
What is the InChIKey of 3-benzylidene-6H-oxazine?
The InChIKey is NSQXRHFOKGWJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-5-10(6-3-1)9-11-7-4-8-13-12-11/h1-7,9,12H,8H2.
What are the key properties of 3-benzylidene-6H-oxazine?
3-benzylidene-6H-oxazine has a molecular weight of 173.22 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-6H-oxazine is sourced from PubChem (CID 66808048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).