3-hydroxy-3-benzazepine

C10H9NO — CID 56629441

IUPAC3-hydroxy-3-benzazepine
SMILESON1C=Cc2ccccc2C=C1
InChIInChI=1S/C10H9NO/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-8,12H
InChIKeyAUGZQEXRGQZIRD-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.33
Rot. Bonds

About 3-hydroxy-3-benzazepine

3-hydroxy-3-benzazepine (PubChem CID 56629441) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-hydroxy-3-benzazepine.

Molecular Properties

Compound Name3-hydroxy-3-benzazepine
PubChem CID56629441
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name3-hydroxy-3-benzazepine
SMILESON1C=Cc2ccccc2C=C1
InChIInChI=1S/C10H9NO/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-8,12H
InChIKeyAUGZQEXRGQZIRD-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzazepine-3-carboxamide
CID 69175294
2,3-benzodiazepine-3-carbothioic S-acid
CID 22565457
7H-benzo[7]annulen-7-ol
CID 130126400
1-hydroxybenzo[de]quinoline
CID 66971411
3H-imidazo[2,1-b][3]benzazepine
CID 69062925
bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
CID 174841145
azanylidyneoxidanium;bicyclo[4.2.0]octa-1,3,5,7-tetraene;carbon monoxide;iron
CID 134900349
(10Z,13Z)-12-methyl-2,3-dimethylidene-12-azatricyclo[13.4.0.04,9]nonadeca-1(19),4,6,8,10,13,15,17-octaene
CID 145387131
5-methylbenzo[d][1]benzazepine
CID 67174397
2H-benzotriazole;1-hydroxyazepine
CID 159562697
2-methyl-1H-isoquinoline;hydrochloride
CID 173000656
1-(1H-isoquinolin-2-yl)prop-1-en-1-ol
CID 67836198

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-benzazepine?
The IUPAC name of 3-hydroxy-3-benzazepine (CID 56629441) is 3-hydroxy-3-benzazepine.
What is the SMILES notation for 3-hydroxy-3-benzazepine?
The canonical SMILES for 3-hydroxy-3-benzazepine is ON1C=Cc2ccccc2C=C1.
What is the InChIKey of 3-hydroxy-3-benzazepine?
The InChIKey is AUGZQEXRGQZIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-11-7-5-9-3-1-2-4-10(9)6-8-11/h1-8,12H.
What are the key properties of 3-hydroxy-3-benzazepine?
3-hydroxy-3-benzazepine has a molecular weight of 159.19 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-benzazepine is sourced from PubChem (CID 56629441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).