3,9-dihydro-3-benzazepin-8-one

C10H9NO — CID 67481290

IUPAC3,9-dihydro-3-benzazepin-8-one
SMILESO=C1C=CC2=C(C=CNC=C2)C1
InChIInChI=1S/C10H9NO/c12-10-2-1-8-3-5-11-6-4-9(8)7-10/h1-6,11H,7H2
InChIKeyOEWWJQXICFBZCF-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.44
Rot. Bonds

About 3,9-dihydro-3-benzazepin-8-one

3,9-dihydro-3-benzazepin-8-one (PubChem CID 67481290) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 3,9-dihydro-3-benzazepin-8-one.

Molecular Properties

Compound Name3,9-dihydro-3-benzazepin-8-one
PubChem CID67481290
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name3,9-dihydro-3-benzazepin-8-one
SMILESO=C1C=CC2=C(C=CNC=C2)C1
InChIInChI=1S/C10H9NO/c12-10-2-1-8-3-5-11-6-4-9(8)7-10/h1-6,11H,7H2
InChIKeyOEWWJQXICFBZCF-UHFFFAOYSA-N
XLogP1.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Benzazepine-1,7-diol
CID 168268213
1-(1,2-Dihydropyridin-4-yl)ethanone
CID 5231768
2H-benzo[h]isoquinolin-9-one
CID 14085626
3,8-dihydro-2H-isoquinolin-7-one
CID 23171746
2-[5-(Methylamino)penta-2,4-dienylidene]-4-prop-2-enylidenecyclobutan-1-one
CID 58618415
2-[5-(Methylamino)penta-2,4-dienylidene]cyclobutan-1-one
CID 59061815
1-(1,2-Dihydropyridin-4-yl)-2-methylpropan-1-one
CID 59461244
2,7-Dihydro-2-benzazepin-6-one
CID 67513094
3,6-dihydro-2H-isoquinolin-5-one
CID 67530682
2-(3-Aminoprop-2-enyl)cyclohexa-2,5-diene-1,4-dione
CID 67842861
1H-benzo[g]quinolin-6-one
CID 68901209
3,8-dihydro-2H-isoquinolin-5-one
CID 68980953

Frequently Asked Questions

What is the IUPAC name of 3,9-dihydro-3-benzazepin-8-one?
The IUPAC name of 3,9-dihydro-3-benzazepin-8-one (CID 67481290) is 3,9-dihydro-3-benzazepin-8-one.
What is the SMILES notation for 3,9-dihydro-3-benzazepin-8-one?
The canonical SMILES for 3,9-dihydro-3-benzazepin-8-one is O=C1C=CC2=C(C=CNC=C2)C1.
What is the InChIKey of 3,9-dihydro-3-benzazepin-8-one?
The InChIKey is OEWWJQXICFBZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-2-1-8-3-5-11-6-4-9(8)7-10/h1-6,11H,7H2.
What are the key properties of 3,9-dihydro-3-benzazepin-8-one?
3,9-dihydro-3-benzazepin-8-one has a molecular weight of 159.19 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dihydro-3-benzazepin-8-one is sourced from PubChem (CID 67481290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).