9,11-dihydrocyclohepta[b][1,4]benzoxazine

C13H11NO — CID 134390853

IUPAC9,11-dihydrocyclohepta[b][1,4]benzoxazine
SMILESC1=CCC=C2Nc3ccccc3OC2=C1
InChIInChI=1S/C13H11NO/c1-2-6-10-12(8-3-1)15-13-9-5-4-7-11(13)14-10/h1,3-9,14H,2H2
InChIKeyNJTGWZCLODSYFB-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.22
Rot. Bonds

About 9,11-dihydrocyclohepta[b][1,4]benzoxazine

9,11-dihydrocyclohepta[b][1,4]benzoxazine (PubChem CID 134390853) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 9,11-dihydrocyclohepta[b][1,4]benzoxazine.

Molecular Properties

Compound Name9,11-dihydrocyclohepta[b][1,4]benzoxazine
PubChem CID134390853
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name9,11-dihydrocyclohepta[b][1,4]benzoxazine
SMILESC1=CCC=C2Nc3ccccc3OC2=C1
InChIInChI=1S/C13H11NO/c1-2-6-10-12(8-3-1)15-13-9-5-4-7-11(13)14-10/h1,3-9,14H,2H2
InChIKeyNJTGWZCLODSYFB-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,11-dihydrocyclohepta[b][1,4]benzoxazine?
The IUPAC name of 9,11-dihydrocyclohepta[b][1,4]benzoxazine (CID 134390853) is 9,11-dihydrocyclohepta[b][1,4]benzoxazine.
What is the SMILES notation for 9,11-dihydrocyclohepta[b][1,4]benzoxazine?
The canonical SMILES for 9,11-dihydrocyclohepta[b][1,4]benzoxazine is C1=CCC=C2Nc3ccccc3OC2=C1.
What is the InChIKey of 9,11-dihydrocyclohepta[b][1,4]benzoxazine?
The InChIKey is NJTGWZCLODSYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c1-2-6-10-12(8-3-1)15-13-9-5-4-7-11(13)14-10/h1,3-9,14H,2H2.
What are the key properties of 9,11-dihydrocyclohepta[b][1,4]benzoxazine?
9,11-dihydrocyclohepta[b][1,4]benzoxazine has a molecular weight of 197.24 g/mol, XLogP of 3.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dihydrocyclohepta[b][1,4]benzoxazine is sourced from PubChem (CID 134390853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).