8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one

C12H13NO2 — CID 10420419

IUPAC8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
SMILESCC(=O)c1ccc2c(c1)CNC(=O)CC2
InChIInChI=1S/C12H13NO2/c1-8(14)10-3-2-9-4-5-12(15)13-7-11(9)6-10/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyAOXVDRXLIUVAFI-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.45
Rot. Bonds1

About 8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one

8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one (PubChem CID 10420419) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one.

Molecular Properties

Compound Name8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
PubChem CID10420419
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one
SMILESCC(=O)c1ccc2c(c1)CNC(=O)CC2
InChIInChI=1S/C12H13NO2/c1-8(14)10-3-2-9-4-5-12(15)13-7-11(9)6-10/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyAOXVDRXLIUVAFI-UHFFFAOYSA-N
XLogP1.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The IUPAC name of 8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one (CID 10420419) is 8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one.
What is the SMILES notation for 8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The canonical SMILES for 8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one is CC(=O)c1ccc2c(c1)CNC(=O)CC2.
What is the InChIKey of 8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one?
The InChIKey is AOXVDRXLIUVAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(14)10-3-2-9-4-5-12(15)13-7-11(9)6-10/h2-3,6H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one?
8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one has a molecular weight of 203.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-1,2,4,5-tetrahydro-2-benzazepin-3-one is sourced from PubChem (CID 10420419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).