5,7-dihydro-1-benzazepin-6-one

C10H9NO — CID 67729417

IUPAC5,7-dihydro-1-benzazepin-6-one
SMILESO=C1CC=CC2=C1CC=CC=N2
InChIInChI=1S/C10H9NO/c12-10-6-3-5-9-8(10)4-1-2-7-11-9/h1-3,5,7H,4,6H2
InChIKeyPWLUSWHLWYOBOI-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.80
Rot. Bonds

About 5,7-dihydro-1-benzazepin-6-one

5,7-dihydro-1-benzazepin-6-one (PubChem CID 67729417) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5,7-dihydro-1-benzazepin-6-one.

Molecular Properties

Compound Name5,7-dihydro-1-benzazepin-6-one
PubChem CID67729417
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5,7-dihydro-1-benzazepin-6-one
SMILESO=C1CC=CC2=C1CC=CC=N2
InChIInChI=1S/C10H9NO/c12-10-6-3-5-9-8(10)4-1-2-7-11-9/h1-3,5,7H,4,6H2
InChIKeyPWLUSWHLWYOBOI-UHFFFAOYSA-N
XLogP1.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydro-1-benzazepin-6-one?
The IUPAC name of 5,7-dihydro-1-benzazepin-6-one (CID 67729417) is 5,7-dihydro-1-benzazepin-6-one.
What is the SMILES notation for 5,7-dihydro-1-benzazepin-6-one?
The canonical SMILES for 5,7-dihydro-1-benzazepin-6-one is O=C1CC=CC2=C1CC=CC=N2.
What is the InChIKey of 5,7-dihydro-1-benzazepin-6-one?
The InChIKey is PWLUSWHLWYOBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-6-3-5-9-8(10)4-1-2-7-11-9/h1-3,5,7H,4,6H2.
What are the key properties of 5,7-dihydro-1-benzazepin-6-one?
5,7-dihydro-1-benzazepin-6-one has a molecular weight of 159.19 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydro-1-benzazepin-6-one is sourced from PubChem (CID 67729417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).