9H-3-benzazepine-8-carboxamide;hydrochloride

C11H11ClN2O — CID 69180475

IUPAC9H-3-benzazepine-8-carboxamide;hydrochloride
SMILESCl.NC(=O)C1=CC=C2C=CN=CC=C2C1
InChIInChI=1S/C11H10N2O.ClH/c12-11(14)10-2-1-8-3-5-13-6-4-9(8)7-10;/h1-6H,7H2,(H2,12,14);1H
InChIKeyNEZPVIPMIVROIC-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.67
Rot. Bonds1

About 9H-3-benzazepine-8-carboxamide;hydrochloride

9H-3-benzazepine-8-carboxamide;hydrochloride (PubChem CID 69180475) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 9H-3-benzazepine-8-carboxamide;hydrochloride.

Molecular Properties

Compound Name9H-3-benzazepine-8-carboxamide;hydrochloride
PubChem CID69180475
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name9H-3-benzazepine-8-carboxamide;hydrochloride
SMILESCl.NC(=O)C1=CC=C2C=CN=CC=C2C1
InChIInChI=1S/C11H10N2O.ClH/c12-11(14)10-2-1-8-3-5-13-6-4-9(8)7-10;/h1-6H,7H2,(H2,12,14);1H
InChIKeyNEZPVIPMIVROIC-UHFFFAOYSA-N
XLogP1.67
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-3-benzazepine-8-carboxamide;hydrochloride?
The IUPAC name of 9H-3-benzazepine-8-carboxamide;hydrochloride (CID 69180475) is 9H-3-benzazepine-8-carboxamide;hydrochloride.
What is the SMILES notation for 9H-3-benzazepine-8-carboxamide;hydrochloride?
The canonical SMILES for 9H-3-benzazepine-8-carboxamide;hydrochloride is Cl.NC(=O)C1=CC=C2C=CN=CC=C2C1.
What is the InChIKey of 9H-3-benzazepine-8-carboxamide;hydrochloride?
The InChIKey is NEZPVIPMIVROIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.ClH/c12-11(14)10-2-1-8-3-5-13-6-4-9(8)7-10;/h1-6H,7H2,(H2,12,14);1H.
What are the key properties of 9H-3-benzazepine-8-carboxamide;hydrochloride?
9H-3-benzazepine-8-carboxamide;hydrochloride has a molecular weight of 222.68 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-3-benzazepine-8-carboxamide;hydrochloride is sourced from PubChem (CID 69180475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).