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

C10H9NO — CID 23000068

IUPAC5,5a-dihydro-1-benzazepin-6-one
SMILESO=C1C=CC=C2N=CC=CCC12
InChIInChI=1S/C10H9NO/c12-10-6-3-5-9-8(10)4-1-2-7-11-9/h1-3,5-8H,4H2
InChIKeyDKIQHCKFBGYABJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.66
Rot. Bonds

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

5,5a-dihydro-1-benzazepin-6-one (PubChem CID 23000068) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5,5a-dihydro-1-benzazepin-6-one.

Molecular Properties

Compound Name5,5a-dihydro-1-benzazepin-6-one
PubChem CID23000068
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5,5a-dihydro-1-benzazepin-6-one
SMILESO=C1C=CC=C2N=CC=CCC12
InChIInChI=1S/C10H9NO/c12-10-6-3-5-9-8(10)4-1-2-7-11-9/h1-3,5-8H,4H2
InChIKeyDKIQHCKFBGYABJ-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Dibenzazepinone
CID 87489562
Dihydrodibenzoazepinone
CID 87784893
1-Benzazepin-6-one
CID 23126631
4-Azatricyclo[9.4.0.03,8]pentadeca-1,4,6,10,12,14-hexaen-9-one
CID 57102823
4,4a-dihydro-3H-quinolin-5-one
CID 68843701
Quinolin-5(4aH)-one
CID 76039128
1-Benzazepin-6-one;hydrochloride
CID 88142030
7,8-Dihydro-1-benzazepin-6-one
CID 157720343
2,3,4,6-Tetradeuteriobenzo[d][1]benzazepin-1-one
CID 168159237

Frequently Asked Questions

What is the IUPAC name of 5,5a-dihydro-1-benzazepin-6-one?
The IUPAC name of 5,5a-dihydro-1-benzazepin-6-one (CID 23000068) is 5,5a-dihydro-1-benzazepin-6-one.
What is the SMILES notation for 5,5a-dihydro-1-benzazepin-6-one?
The canonical SMILES for 5,5a-dihydro-1-benzazepin-6-one is O=C1C=CC=C2N=CC=CCC12.
What is the InChIKey of 5,5a-dihydro-1-benzazepin-6-one?
The InChIKey is DKIQHCKFBGYABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-6-3-5-9-8(10)4-1-2-7-11-9/h1-3,5-8H,4H2.
What are the key properties of 5,5a-dihydro-1-benzazepin-6-one?
5,5a-dihydro-1-benzazepin-6-one has a molecular weight of 159.19 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5a-dihydro-1-benzazepin-6-one is sourced from PubChem (CID 23000068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).