2,9-dihydro-1-benzazepin-6-one

C10H9NO — CID 57031443

IUPAC2,9-dihydro-1-benzazepin-6-one
SMILESO=C1C=CCC2=NCC=CC=C12
InChIInChI=1S/C10H9NO/c12-10-6-3-5-9-8(10)4-1-2-7-11-9/h1-4,6H,5,7H2
InChIKeyHFMOJRCVZZUHHP-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.45
Rot. Bonds

About 2,9-dihydro-1-benzazepin-6-one

2,9-dihydro-1-benzazepin-6-one (PubChem CID 57031443) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2,9-dihydro-1-benzazepin-6-one.

Molecular Properties

Compound Name2,9-dihydro-1-benzazepin-6-one
PubChem CID57031443
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2,9-dihydro-1-benzazepin-6-one
SMILESO=C1C=CCC2=NCC=CC=C12
InChIInChI=1S/C10H9NO/c12-10-6-3-5-9-8(10)4-1-2-7-11-9/h1-4,6H,5,7H2
InChIKeyHFMOJRCVZZUHHP-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22419835
6,7-Dihydro-1-benzazepin-5-one
CID 53770788
5,10a-dihydro-4H-acridin-1-one
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4,9-Dihydro-1,2-benzodiazepin-6-one
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Frequently Asked Questions

What is the IUPAC name of 2,9-dihydro-1-benzazepin-6-one?
The IUPAC name of 2,9-dihydro-1-benzazepin-6-one (CID 57031443) is 2,9-dihydro-1-benzazepin-6-one.
What is the SMILES notation for 2,9-dihydro-1-benzazepin-6-one?
The canonical SMILES for 2,9-dihydro-1-benzazepin-6-one is O=C1C=CCC2=NCC=CC=C12.
What is the InChIKey of 2,9-dihydro-1-benzazepin-6-one?
The InChIKey is HFMOJRCVZZUHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-10-6-3-5-9-8(10)4-1-2-7-11-9/h1-4,6H,5,7H2.
What are the key properties of 2,9-dihydro-1-benzazepin-6-one?
2,9-dihydro-1-benzazepin-6-one has a molecular weight of 159.19 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dihydro-1-benzazepin-6-one is sourced from PubChem (CID 57031443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).