9H-3-benzazepine-8-carboxamide

C11H10N2O — CID 69180476

IUPAC9H-3-benzazepine-8-carboxamide
SMILESNC(=O)C1=CC=C2C=CN=CC=C2C1
InChIInChI=1S/C11H10N2O/c12-11(14)10-2-1-8-3-5-13-6-4-9(8)7-10/h1-6H,7H2,(H2,12,14)
InChIKeyRZAYLUYZXLMZFP-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.25
Rot. Bonds1

About 9H-3-benzazepine-8-carboxamide

9H-3-benzazepine-8-carboxamide (PubChem CID 69180476) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 9H-3-benzazepine-8-carboxamide.

Molecular Properties

Compound Name9H-3-benzazepine-8-carboxamide
PubChem CID69180476
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name9H-3-benzazepine-8-carboxamide
SMILESNC(=O)C1=CC=C2C=CN=CC=C2C1
InChIInChI=1S/C11H10N2O/c12-11(14)10-2-1-8-3-5-13-6-4-9(8)7-10/h1-6H,7H2,(H2,12,14)
InChIKeyRZAYLUYZXLMZFP-UHFFFAOYSA-N
XLogP1.25
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.25
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?
The IUPAC name of 9H-3-benzazepine-8-carboxamide (CID 69180476) is 9H-3-benzazepine-8-carboxamide.
What is the SMILES notation for 9H-3-benzazepine-8-carboxamide?
The canonical SMILES for 9H-3-benzazepine-8-carboxamide is NC(=O)C1=CC=C2C=CN=CC=C2C1.
What is the InChIKey of 9H-3-benzazepine-8-carboxamide?
The InChIKey is RZAYLUYZXLMZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-11(14)10-2-1-8-3-5-13-6-4-9(8)7-10/h1-6H,7H2,(H2,12,14).
What are the key properties of 9H-3-benzazepine-8-carboxamide?
9H-3-benzazepine-8-carboxamide has a molecular weight of 186.21 g/mol, XLogP of 1.25, 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 is sourced from PubChem (CID 69180476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).