7,9-dihydro-3-benzazepin-8-one;hydrochloride

C10H10ClNO — CID 70203172

IUPAC7,9-dihydro-3-benzazepin-8-one;hydrochloride
SMILESCl.O=C1CC=C2C=CN=CC=C2C1
InChIInChI=1S/C10H9NO.ClH/c12-10-2-1-8-3-5-11-6-4-9(8)7-10;/h1,3-6H,2,7H2;1H
InChIKeyCDNQECOJJSBDFH-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.22
Rot. Bonds

About 7,9-dihydro-3-benzazepin-8-one;hydrochloride

7,9-dihydro-3-benzazepin-8-one;hydrochloride (PubChem CID 70203172) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 7,9-dihydro-3-benzazepin-8-one;hydrochloride.

Molecular Properties

Compound Name7,9-dihydro-3-benzazepin-8-one;hydrochloride
PubChem CID70203172
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name7,9-dihydro-3-benzazepin-8-one;hydrochloride
SMILESCl.O=C1CC=C2C=CN=CC=C2C1
InChIInChI=1S/C10H9NO.ClH/c12-10-2-1-8-3-5-11-6-4-9(8)7-10;/h1,3-6H,2,7H2;1H
InChIKeyCDNQECOJJSBDFH-UHFFFAOYSA-N
XLogP2.22
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,9-dihydro-3-benzazepin-8-one;hydrochloride?
The IUPAC name of 7,9-dihydro-3-benzazepin-8-one;hydrochloride (CID 70203172) is 7,9-dihydro-3-benzazepin-8-one;hydrochloride.
What is the SMILES notation for 7,9-dihydro-3-benzazepin-8-one;hydrochloride?
The canonical SMILES for 7,9-dihydro-3-benzazepin-8-one;hydrochloride is Cl.O=C1CC=C2C=CN=CC=C2C1.
What is the InChIKey of 7,9-dihydro-3-benzazepin-8-one;hydrochloride?
The InChIKey is CDNQECOJJSBDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.ClH/c12-10-2-1-8-3-5-11-6-4-9(8)7-10;/h1,3-6H,2,7H2;1H.
What are the key properties of 7,9-dihydro-3-benzazepin-8-one;hydrochloride?
7,9-dihydro-3-benzazepin-8-one;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydro-3-benzazepin-8-one;hydrochloride is sourced from PubChem (CID 70203172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).