11H-benzo[c][1]benzazepine;hydrochloride

C14H12ClN — CID 67058686

IUPAC11H-benzo[c][1]benzazepine;hydrochloride
SMILESC1=Nc2ccccc2Cc2ccccc21.Cl
InChIInChI=1S/C14H11N.ClH/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1;/h1-8,10H,9H2;1H
InChIKeyAOINHJNLWLXVGB-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.76
Rot. Bonds

About 11H-benzo[c][1]benzazepine;hydrochloride

11H-benzo[c][1]benzazepine;hydrochloride (PubChem CID 67058686) has the molecular formula C14H12ClN and a molecular weight of 229.71 g/mol. Its IUPAC name is 11H-benzo[c][1]benzazepine;hydrochloride.

Molecular Properties

Compound Name11H-benzo[c][1]benzazepine;hydrochloride
PubChem CID67058686
Molecular FormulaC14H12ClN
Molecular Weight229.71 g/mol
Exact Mass229.07
IUPAC Name11H-benzo[c][1]benzazepine;hydrochloride
SMILESC1=Nc2ccccc2Cc2ccccc21.Cl
InChIInChI=1S/C14H11N.ClH/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1;/h1-8,10H,9H2;1H
InChIKeyAOINHJNLWLXVGB-UHFFFAOYSA-N
XLogP3.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 11H-benzo[c][1]benzazepine;hydrochloride?
The IUPAC name of 11H-benzo[c][1]benzazepine;hydrochloride (CID 67058686) is 11H-benzo[c][1]benzazepine;hydrochloride.
What is the SMILES notation for 11H-benzo[c][1]benzazepine;hydrochloride?
The canonical SMILES for 11H-benzo[c][1]benzazepine;hydrochloride is C1=Nc2ccccc2Cc2ccccc21.Cl.
What is the InChIKey of 11H-benzo[c][1]benzazepine;hydrochloride?
The InChIKey is AOINHJNLWLXVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N.ClH/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1;/h1-8,10H,9H2;1H.
What are the key properties of 11H-benzo[c][1]benzazepine;hydrochloride?
11H-benzo[c][1]benzazepine;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[c][1]benzazepine;hydrochloride is sourced from PubChem (CID 67058686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).