1H-1-benzazepine-7-carboxamide

C11H10N2O — CID 66874969

IUPAC1H-1-benzazepine-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)C=CC=CN2
InChIInChI=1S/C11H10N2O/c12-11(14)9-4-5-10-8(7-9)3-1-2-6-13-10/h1-7,13H,(H2,12,14)
InChIKeyYDPMXOARMYAUJT-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.74
Rot. Bonds1

About 1H-1-benzazepine-7-carboxamide

1H-1-benzazepine-7-carboxamide (PubChem CID 66874969) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 1H-1-benzazepine-7-carboxamide.

Molecular Properties

Compound Name1H-1-benzazepine-7-carboxamide
PubChem CID66874969
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name1H-1-benzazepine-7-carboxamide
SMILESNC(=O)c1ccc2c(c1)C=CC=CN2
InChIInChI=1S/C11H10N2O/c12-11(14)9-4-5-10-8(7-9)3-1-2-6-13-10/h1-7,13H,(H2,12,14)
InChIKeyYDPMXOARMYAUJT-UHFFFAOYSA-N
XLogP1.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-1-benzazepine-7-carboxamide?
The IUPAC name of 1H-1-benzazepine-7-carboxamide (CID 66874969) is 1H-1-benzazepine-7-carboxamide.
What is the SMILES notation for 1H-1-benzazepine-7-carboxamide?
The canonical SMILES for 1H-1-benzazepine-7-carboxamide is NC(=O)c1ccc2c(c1)C=CC=CN2.
What is the InChIKey of 1H-1-benzazepine-7-carboxamide?
The InChIKey is YDPMXOARMYAUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-11(14)9-4-5-10-8(7-9)3-1-2-6-13-10/h1-7,13H,(H2,12,14).
What are the key properties of 1H-1-benzazepine-7-carboxamide?
1H-1-benzazepine-7-carboxamide has a molecular weight of 186.21 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1-benzazepine-7-carboxamide is sourced from PubChem (CID 66874969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).