6H-1-benzazepine-7-carboxamide

C11H10N2O — CID 87187038

IUPAC6H-1-benzazepine-7-carboxamide
SMILESNC(=O)C1=CC=C2N=CC=CC=C2C1
InChIInChI=1S/C11H10N2O/c12-11(14)9-4-5-10-8(7-9)3-1-2-6-13-10/h1-6H,7H2,(H2,12,14)
InChIKeyYNZNWRMGPILVKC-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.25
Rot. Bonds1

About 6H-1-benzazepine-7-carboxamide

6H-1-benzazepine-7-carboxamide (PubChem CID 87187038) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 6H-1-benzazepine-7-carboxamide.

Molecular Properties

Compound Name6H-1-benzazepine-7-carboxamide
PubChem CID87187038
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name6H-1-benzazepine-7-carboxamide
SMILESNC(=O)C1=CC=C2N=CC=CC=C2C1
InChIInChI=1S/C11H10N2O/c12-11(14)9-4-5-10-8(7-9)3-1-2-6-13-10/h1-6H,7H2,(H2,12,14)
InChIKeyYNZNWRMGPILVKC-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 6H-1-benzazepine-7-carboxamide?
The IUPAC name of 6H-1-benzazepine-7-carboxamide (CID 87187038) is 6H-1-benzazepine-7-carboxamide.
What is the SMILES notation for 6H-1-benzazepine-7-carboxamide?
The canonical SMILES for 6H-1-benzazepine-7-carboxamide is NC(=O)C1=CC=C2N=CC=CC=C2C1.
What is the InChIKey of 6H-1-benzazepine-7-carboxamide?
The InChIKey is YNZNWRMGPILVKC-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/h1-6H,7H2,(H2,12,14).
What are the key properties of 6H-1-benzazepine-7-carboxamide?
6H-1-benzazepine-7-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 6H-1-benzazepine-7-carboxamide is sourced from PubChem (CID 87187038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).