cyclohepta[e]oxazine

C9H7NO — CID 87490288

IUPACcyclohepta[e]oxazine
SMILESC1=CC=C2ON=CC=C2C=C1
InChIInChI=1S/C9H7NO/c1-2-4-8-6-7-10-11-9(8)5-3-1/h1-7H
InChIKeyVONZEGRONYOBCN-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.94
Rot. Bonds

About cyclohepta[e]oxazine

cyclohepta[e]oxazine (PubChem CID 87490288) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is cyclohepta[e]oxazine.

Molecular Properties

Compound Namecyclohepta[e]oxazine
PubChem CID87490288
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Namecyclohepta[e]oxazine
SMILESC1=CC=C2ON=CC=C2C=C1
InChIInChI=1S/C9H7NO/c1-2-4-8-6-7-10-11-9(8)5-3-1/h1-7H
InChIKeyVONZEGRONYOBCN-UHFFFAOYSA-N
XLogP1.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohepta[e]oxazine?
The IUPAC name of cyclohepta[e]oxazine (CID 87490288) is cyclohepta[e]oxazine.
What is the SMILES notation for cyclohepta[e]oxazine?
The canonical SMILES for cyclohepta[e]oxazine is C1=CC=C2ON=CC=C2C=C1.
What is the InChIKey of cyclohepta[e]oxazine?
The InChIKey is VONZEGRONYOBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c1-2-4-8-6-7-10-11-9(8)5-3-1/h1-7H.
What are the key properties of cyclohepta[e]oxazine?
cyclohepta[e]oxazine has a molecular weight of 145.16 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta[e]oxazine is sourced from PubChem (CID 87490288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).