7,9-dihydro-1-benzazepin-8-one

C10H9NO — CID 172838380

IUPAC7,9-dihydro-1-benzazepin-8-one
SMILESO=C1CC=C2C=CC=CN=C2C1
InChIInChI=1S/C10H9NO/c12-9-5-4-8-3-1-2-6-11-10(8)7-9/h1-4,6H,5,7H2
InChIKeyWLROEKSTQPICDJ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.80
Rot. Bonds

About 7,9-dihydro-1-benzazepin-8-one

7,9-dihydro-1-benzazepin-8-one (PubChem CID 172838380) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 7,9-dihydro-1-benzazepin-8-one.

Molecular Properties

Compound Name7,9-dihydro-1-benzazepin-8-one
PubChem CID172838380
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name7,9-dihydro-1-benzazepin-8-one
SMILESO=C1CC=C2C=CC=CN=C2C1
InChIInChI=1S/C10H9NO/c12-9-5-4-8-3-1-2-6-11-10(8)7-9/h1-4,6H,5,7H2
InChIKeyWLROEKSTQPICDJ-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 7,9-dihydro-1-benzazepin-8-one?
The IUPAC name of 7,9-dihydro-1-benzazepin-8-one (CID 172838380) is 7,9-dihydro-1-benzazepin-8-one.
What is the SMILES notation for 7,9-dihydro-1-benzazepin-8-one?
The canonical SMILES for 7,9-dihydro-1-benzazepin-8-one is O=C1CC=C2C=CC=CN=C2C1.
What is the InChIKey of 7,9-dihydro-1-benzazepin-8-one?
The InChIKey is WLROEKSTQPICDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-9-5-4-8-3-1-2-6-11-10(8)7-9/h1-4,6H,5,7H2.
What are the key properties of 7,9-dihydro-1-benzazepin-8-one?
7,9-dihydro-1-benzazepin-8-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 7,9-dihydro-1-benzazepin-8-one is sourced from PubChem (CID 172838380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).