2H-1-benzazepin-2-ol;hydrochloride

C10H10ClNO — CID 174369269

IUPAC2H-1-benzazepin-2-ol;hydrochloride
SMILESCl.OC1C=CC=c2ccccc2=N1
InChIInChI=1S/C10H9NO.ClH/c12-10-7-3-5-8-4-1-2-6-9(8)11-10;/h1-7,10,12H;1H
InChIKeyIVPXHEWTYRBPML-UHFFFAOYSA-N
MW195.65 g/mol
LogP0.40
Rot. Bonds

About 2H-1-benzazepin-2-ol;hydrochloride

2H-1-benzazepin-2-ol;hydrochloride (PubChem CID 174369269) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 2H-1-benzazepin-2-ol;hydrochloride.

Molecular Properties

Compound Name2H-1-benzazepin-2-ol;hydrochloride
PubChem CID174369269
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name2H-1-benzazepin-2-ol;hydrochloride
SMILESCl.OC1C=CC=c2ccccc2=N1
InChIInChI=1S/C10H9NO.ClH/c12-10-7-3-5-8-4-1-2-6-9(8)11-10;/h1-7,10,12H;1H
InChIKeyIVPXHEWTYRBPML-UHFFFAOYSA-N
XLogP0.40
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-1-benzazepin-2-ol;hydrochloride?
The IUPAC name of 2H-1-benzazepin-2-ol;hydrochloride (CID 174369269) is 2H-1-benzazepin-2-ol;hydrochloride.
What is the SMILES notation for 2H-1-benzazepin-2-ol;hydrochloride?
The canonical SMILES for 2H-1-benzazepin-2-ol;hydrochloride is Cl.OC1C=CC=c2ccccc2=N1.
What is the InChIKey of 2H-1-benzazepin-2-ol;hydrochloride?
The InChIKey is IVPXHEWTYRBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.ClH/c12-10-7-3-5-8-4-1-2-6-9(8)11-10;/h1-7,10,12H;1H.
What are the key properties of 2H-1-benzazepin-2-ol;hydrochloride?
2H-1-benzazepin-2-ol;hydrochloride has a molecular weight of 195.65 g/mol, XLogP of 0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1-benzazepin-2-ol;hydrochloride is sourced from PubChem (CID 174369269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).