1-benzazepin-7-one;hydrochloride

C10H8ClNO — CID 22356005

IUPAC1-benzazepin-7-one;hydrochloride
SMILESCl.O=c1ccc2nccccc-2c1
InChIInChI=1S/C10H7NO.ClH/c12-9-4-5-10-8(7-9)3-1-2-6-11-10;/h1-7H;1H
InChIKeyCXZJFBQKVXAFTA-UHFFFAOYSA-N
MW193.63 g/mol
LogP1.97
Rot. Bonds

About 1-benzazepin-7-one;hydrochloride

1-benzazepin-7-one;hydrochloride (PubChem CID 22356005) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 1-benzazepin-7-one;hydrochloride.

Molecular Properties

Compound Name1-benzazepin-7-one;hydrochloride
PubChem CID22356005
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name1-benzazepin-7-one;hydrochloride
SMILESCl.O=c1ccc2nccccc-2c1
InChIInChI=1S/C10H7NO.ClH/c12-9-4-5-10-8(7-9)3-1-2-6-11-10;/h1-7H;1H
InChIKeyCXZJFBQKVXAFTA-UHFFFAOYSA-N
XLogP1.97
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzazepin-7-one;hydrochloride?
The IUPAC name of 1-benzazepin-7-one;hydrochloride (CID 22356005) is 1-benzazepin-7-one;hydrochloride.
What is the SMILES notation for 1-benzazepin-7-one;hydrochloride?
The canonical SMILES for 1-benzazepin-7-one;hydrochloride is Cl.O=c1ccc2nccccc-2c1.
What is the InChIKey of 1-benzazepin-7-one;hydrochloride?
The InChIKey is CXZJFBQKVXAFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO.ClH/c12-9-4-5-10-8(7-9)3-1-2-6-11-10;/h1-7H;1H.
What are the key properties of 1-benzazepin-7-one;hydrochloride?
1-benzazepin-7-one;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzazepin-7-one;hydrochloride is sourced from PubChem (CID 22356005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).