8-amino-1-benzazepin-2-one

C10H8N2O — CID 86634086

IUPAC8-amino-1-benzazepin-2-one
SMILESNc1ccc2cccc(=O)nc2c1
InChIInChI=1S/C10H8N2O/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h1-6H,11H2
InChIKeyLWDYXSRXCUWBOH-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.18
Rot. Bonds

About 8-amino-1-benzazepin-2-one

8-amino-1-benzazepin-2-one (PubChem CID 86634086) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 8-amino-1-benzazepin-2-one.

Molecular Properties

Compound Name8-amino-1-benzazepin-2-one
PubChem CID86634086
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name8-amino-1-benzazepin-2-one
SMILESNc1ccc2cccc(=O)nc2c1
InChIInChI=1S/C10H8N2O/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h1-6H,11H2
InChIKeyLWDYXSRXCUWBOH-UHFFFAOYSA-N
XLogP1.18
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1-benzazepin-2-one?
The IUPAC name of 8-amino-1-benzazepin-2-one (CID 86634086) is 8-amino-1-benzazepin-2-one.
What is the SMILES notation for 8-amino-1-benzazepin-2-one?
The canonical SMILES for 8-amino-1-benzazepin-2-one is Nc1ccc2cccc(=O)nc2c1.
What is the InChIKey of 8-amino-1-benzazepin-2-one?
The InChIKey is LWDYXSRXCUWBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h1-6H,11H2.
What are the key properties of 8-amino-1-benzazepin-2-one?
8-amino-1-benzazepin-2-one has a molecular weight of 172.19 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-benzazepin-2-one is sourced from PubChem (CID 86634086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).