4H-2-benzazepine-5-carboxamide

C11H10N2O — CID 91250758

IUPAC4H-2-benzazepine-5-carboxamide
SMILESNC(=O)C1=c2ccccc2=CN=CC1
InChIInChI=1S/C11H10N2O/c12-11(14)10-5-6-13-7-8-3-1-2-4-9(8)10/h1-4,6-7H,5H2,(H2,12,14)
InChIKeyKWIZCCAYJICCMN-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.46
Rot. Bonds1

About 4H-2-benzazepine-5-carboxamide

4H-2-benzazepine-5-carboxamide (PubChem CID 91250758) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 4H-2-benzazepine-5-carboxamide.

Molecular Properties

Compound Name4H-2-benzazepine-5-carboxamide
PubChem CID91250758
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name4H-2-benzazepine-5-carboxamide
SMILESNC(=O)C1=c2ccccc2=CN=CC1
InChIInChI=1S/C11H10N2O/c12-11(14)10-5-6-13-7-8-3-1-2-4-9(8)10/h1-4,6-7H,5H2,(H2,12,14)
InChIKeyKWIZCCAYJICCMN-UHFFFAOYSA-N
XLogP-0.46
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 ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-2-benzazepine-5-carboxamide?
The IUPAC name of 4H-2-benzazepine-5-carboxamide (CID 91250758) is 4H-2-benzazepine-5-carboxamide.
What is the SMILES notation for 4H-2-benzazepine-5-carboxamide?
The canonical SMILES for 4H-2-benzazepine-5-carboxamide is NC(=O)C1=c2ccccc2=CN=CC1.
What is the InChIKey of 4H-2-benzazepine-5-carboxamide?
The InChIKey is KWIZCCAYJICCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-11(14)10-5-6-13-7-8-3-1-2-4-9(8)10/h1-4,6-7H,5H2,(H2,12,14).
What are the key properties of 4H-2-benzazepine-5-carboxamide?
4H-2-benzazepine-5-carboxamide has a molecular weight of 186.21 g/mol, XLogP of -0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-2-benzazepine-5-carboxamide is sourced from PubChem (CID 91250758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).