benzo[c][1,5]benzoxazepine;hydrochloride

C13H10ClNO — CID 131722018

IUPACbenzo[c][1,5]benzoxazepine;hydrochloride
SMILESC1=c2ccccc2=Nc2ccccc2O1.Cl
InChIInChI=1S/C13H9NO.ClH/c1-2-6-11-10(5-1)9-15-13-8-4-3-7-12(13)14-11;/h1-9H;1H
InChIKeyKFGOKXISUOCGII-UHFFFAOYSA-N
MW231.68 g/mol
LogP2.19
Rot. Bonds

About benzo[c][1,5]benzoxazepine;hydrochloride

benzo[c][1,5]benzoxazepine;hydrochloride (PubChem CID 131722018) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is benzo[c][1,5]benzoxazepine;hydrochloride.

Molecular Properties

Compound Namebenzo[c][1,5]benzoxazepine;hydrochloride
PubChem CID131722018
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Namebenzo[c][1,5]benzoxazepine;hydrochloride
SMILESC1=c2ccccc2=Nc2ccccc2O1.Cl
InChIInChI=1S/C13H9NO.ClH/c1-2-6-11-10(5-1)9-15-13-8-4-3-7-12(13)14-11;/h1-9H;1H
InChIKeyKFGOKXISUOCGII-UHFFFAOYSA-N
XLogP2.19
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzo[c][1,5]benzoxazepine;hydrochloride?
The IUPAC name of benzo[c][1,5]benzoxazepine;hydrochloride (CID 131722018) is benzo[c][1,5]benzoxazepine;hydrochloride.
What is the SMILES notation for benzo[c][1,5]benzoxazepine;hydrochloride?
The canonical SMILES for benzo[c][1,5]benzoxazepine;hydrochloride is C1=c2ccccc2=Nc2ccccc2O1.Cl.
What is the InChIKey of benzo[c][1,5]benzoxazepine;hydrochloride?
The InChIKey is KFGOKXISUOCGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO.ClH/c1-2-6-11-10(5-1)9-15-13-8-4-3-7-12(13)14-11;/h1-9H;1H.
What are the key properties of benzo[c][1,5]benzoxazepine;hydrochloride?
benzo[c][1,5]benzoxazepine;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c][1,5]benzoxazepine;hydrochloride is sourced from PubChem (CID 131722018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).