cyclohepta[b][1,4]benzoxazine

C13H9NO — CID 11095532

IUPACcyclohepta[b][1,4]benzoxazine
SMILESC1=CC=C2Oc3ccccc3N=C2C=C1
InChIInChI=1S/C13H9NO/c1-2-6-10-12(8-3-1)15-13-9-5-4-7-11(13)14-10/h1-9H
InChIKeyQWOCLSVGJKZFSW-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.16
Rot. Bonds

About cyclohepta[b][1,4]benzoxazine

cyclohepta[b][1,4]benzoxazine (PubChem CID 11095532) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is cyclohepta[b][1,4]benzoxazine.

Molecular Properties

Compound Namecyclohepta[b][1,4]benzoxazine
PubChem CID11095532
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Namecyclohepta[b][1,4]benzoxazine
SMILESC1=CC=C2Oc3ccccc3N=C2C=C1
InChIInChI=1S/C13H9NO/c1-2-6-10-12(8-3-1)15-13-9-5-4-7-11(13)14-10/h1-9H
InChIKeyQWOCLSVGJKZFSW-UHFFFAOYSA-N
XLogP3.16
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepta[b][1,4]benzoxazine?
The IUPAC name of cyclohepta[b][1,4]benzoxazine (CID 11095532) is cyclohepta[b][1,4]benzoxazine.
What is the SMILES notation for cyclohepta[b][1,4]benzoxazine?
The canonical SMILES for cyclohepta[b][1,4]benzoxazine is C1=CC=C2Oc3ccccc3N=C2C=C1.
What is the InChIKey of cyclohepta[b][1,4]benzoxazine?
The InChIKey is QWOCLSVGJKZFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c1-2-6-10-12(8-3-1)15-13-9-5-4-7-11(13)14-10/h1-9H.
What are the key properties of cyclohepta[b][1,4]benzoxazine?
cyclohepta[b][1,4]benzoxazine has a molecular weight of 195.22 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[b][1,4]benzoxazine is sourced from PubChem (CID 11095532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).