11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride

C15H11ClN2 — CID 52948783

IUPAC11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride
SMILESCl.N#Cc1cccc2c1Cc1ccccc1N=C2
InChIInChI=1S/C15H10N2.ClH/c16-9-12-5-3-6-13-10-17-15-7-2-1-4-11(15)8-14(12)13;/h1-7,10H,8H2;1H
InChIKeyPEKNETXXAOBLPB-UHFFFAOYSA-N
MW254.72 g/mol
LogP3.63
Rot. Bonds

About 11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride

11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride (PubChem CID 52948783) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride.

Molecular Properties

Compound Name11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride
PubChem CID52948783
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride
SMILESCl.N#Cc1cccc2c1Cc1ccccc1N=C2
InChIInChI=1S/C15H10N2.ClH/c16-9-12-5-3-6-13-10-17-15-7-2-1-4-11(15)8-14(12)13;/h1-7,10H,8H2;1H
InChIKeyPEKNETXXAOBLPB-UHFFFAOYSA-N
XLogP3.63
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride?
The IUPAC name of 11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride (CID 52948783) is 11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride.
What is the SMILES notation for 11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride?
The canonical SMILES for 11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride is Cl.N#Cc1cccc2c1Cc1ccccc1N=C2.
What is the InChIKey of 11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride?
The InChIKey is PEKNETXXAOBLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2.ClH/c16-9-12-5-3-6-13-10-17-15-7-2-1-4-11(15)8-14(12)13;/h1-7,10H,8H2;1H.
What are the key properties of 11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride?
11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11H-benzo[c][1]benzazepine-10-carbonitrile;hydrochloride is sourced from PubChem (CID 52948783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).