3-benzazepine-3-carboxamide

C11H10N2O — CID 69175294

IUPAC3-benzazepine-3-carboxamide
SMILESNC(=O)N1C=Cc2ccccc2C=C1
InChIInChI=1S/C11H10N2O/c12-11(14)13-7-5-9-3-1-2-4-10(9)6-8-13/h1-8H,(H2,12,14)
InChIKeyBAJXDSZLOYMOMV-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.02
Rot. Bonds

About 3-benzazepine-3-carboxamide

3-benzazepine-3-carboxamide (PubChem CID 69175294) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 3-benzazepine-3-carboxamide.

Molecular Properties

Compound Name3-benzazepine-3-carboxamide
PubChem CID69175294
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name3-benzazepine-3-carboxamide
SMILESNC(=O)N1C=Cc2ccccc2C=C1
InChIInChI=1S/C11H10N2O/c12-11(14)13-7-5-9-3-1-2-4-10(9)6-8-13/h1-8H,(H2,12,14)
InChIKeyBAJXDSZLOYMOMV-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzazepine-3-carboxamide?
The IUPAC name of 3-benzazepine-3-carboxamide (CID 69175294) is 3-benzazepine-3-carboxamide.
What is the SMILES notation for 3-benzazepine-3-carboxamide?
The canonical SMILES for 3-benzazepine-3-carboxamide is NC(=O)N1C=Cc2ccccc2C=C1.
What is the InChIKey of 3-benzazepine-3-carboxamide?
The InChIKey is BAJXDSZLOYMOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-11(14)13-7-5-9-3-1-2-4-10(9)6-8-13/h1-8H,(H2,12,14).
What are the key properties of 3-benzazepine-3-carboxamide?
3-benzazepine-3-carboxamide has a molecular weight of 186.21 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzazepine-3-carboxamide is sourced from PubChem (CID 69175294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).