benzo[d][2]benzazepin-1-one

C14H9NO — CID 162368597

IUPACbenzo[d][2]benzazepin-1-one
SMILESO=c1cccc2cncc3ccccc3c1-2
InChIInChI=1S/C14H9NO/c16-13-7-3-5-11-9-15-8-10-4-1-2-6-12(10)14(11)13/h1-9H
InChIKeyUMKPHHRLTGEJBU-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.70
Rot. Bonds

About benzo[d][2]benzazepin-1-one

benzo[d][2]benzazepin-1-one (PubChem CID 162368597) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is benzo[d][2]benzazepin-1-one.

Molecular Properties

Compound Namebenzo[d][2]benzazepin-1-one
PubChem CID162368597
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Namebenzo[d][2]benzazepin-1-one
SMILESO=c1cccc2cncc3ccccc3c1-2
InChIInChI=1S/C14H9NO/c16-13-7-3-5-11-9-15-8-10-4-1-2-6-12(10)14(11)13/h1-9H
InChIKeyUMKPHHRLTGEJBU-UHFFFAOYSA-N
XLogP2.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Isoindole-4-one
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Benzo[d][2,3]benzodiazepin-11-one
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Isoquinoline-7-one
CID 67245344
Cyclohepta[b]pyridin-4-one
CID 91267558
7H-isoquinolin-6-one
CID 123935586
2-Azafluoren-7-one
CID 129650989
2-Benzazepin-9-one
CID 19029265
2-Benzazepin-4-one
CID 19763352
2H-quinazolin-8-one
CID 22162090
Benzo[d][1]benzazepin-11-one
CID 22390471
1-Benzazepin-9-one
CID 22419835

Frequently Asked Questions

What is the IUPAC name of benzo[d][2]benzazepin-1-one?
The IUPAC name of benzo[d][2]benzazepin-1-one (CID 162368597) is benzo[d][2]benzazepin-1-one.
What is the SMILES notation for benzo[d][2]benzazepin-1-one?
The canonical SMILES for benzo[d][2]benzazepin-1-one is O=c1cccc2cncc3ccccc3c1-2.
What is the InChIKey of benzo[d][2]benzazepin-1-one?
The InChIKey is UMKPHHRLTGEJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c16-13-7-3-5-11-9-15-8-10-4-1-2-6-12(10)14(11)13/h1-9H.
What are the key properties of benzo[d][2]benzazepin-1-one?
benzo[d][2]benzazepin-1-one has a molecular weight of 207.23 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[d][2]benzazepin-1-one is sourced from PubChem (CID 162368597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).