3-amino-1-benzazepin-2-one

C10H8N2O — CID 22243685

IUPAC3-amino-1-benzazepin-2-one
SMILESNc1ccc2ccccc2nc1=O
InChIInChI=1S/C10H8N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-6H,(H2,11,12,13)
InChIKeyKMFHLURLRXQOAG-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.18
Rot. Bonds

About 3-amino-1-benzazepin-2-one

3-amino-1-benzazepin-2-one (PubChem CID 22243685) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 3-amino-1-benzazepin-2-one.

Molecular Properties

Compound Name3-amino-1-benzazepin-2-one
PubChem CID22243685
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name3-amino-1-benzazepin-2-one
SMILESNc1ccc2ccccc2nc1=O
InChIInChI=1S/C10H8N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-6H,(H2,11,12,13)
InChIKeyKMFHLURLRXQOAG-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-benzazepin-2-one?
The IUPAC name of 3-amino-1-benzazepin-2-one (CID 22243685) is 3-amino-1-benzazepin-2-one.
What is the SMILES notation for 3-amino-1-benzazepin-2-one?
The canonical SMILES for 3-amino-1-benzazepin-2-one is Nc1ccc2ccccc2nc1=O.
What is the InChIKey of 3-amino-1-benzazepin-2-one?
The InChIKey is KMFHLURLRXQOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-6H,(H2,11,12,13).
What are the key properties of 3-amino-1-benzazepin-2-one?
3-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 3-amino-1-benzazepin-2-one is sourced from PubChem (CID 22243685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).