6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol

C13H12N2O — CID 70399337

IUPAC6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol
SMILESOC1c2cnccc2CNc2ccccc21
InChIInChI=1S/C13H12N2O/c16-13-10-3-1-2-4-12(10)15-7-9-5-6-14-8-11(9)13/h1-6,8,13,15-16H,7H2
InChIKeyBGYRROLVBPYVIJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.09
Rot. Bonds

About 6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol

6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol (PubChem CID 70399337) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol.

Molecular Properties

Compound Name6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol
PubChem CID70399337
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol
SMILESOC1c2cnccc2CNc2ccccc21
InChIInChI=1S/C13H12N2O/c16-13-10-3-1-2-4-12(10)15-7-9-5-6-14-8-11(9)13/h1-6,8,13,15-16H,7H2
InChIKeyBGYRROLVBPYVIJ-UHFFFAOYSA-N
XLogP2.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol?
The IUPAC name of 6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol (CID 70399337) is 6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol.
What is the SMILES notation for 6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol?
The canonical SMILES for 6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol is OC1c2cnccc2CNc2ccccc21.
What is the InChIKey of 6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol?
The InChIKey is BGYRROLVBPYVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-10-3-1-2-4-12(10)15-7-9-5-6-14-8-11(9)13/h1-6,8,13,15-16H,7H2.
What are the key properties of 6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol?
6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol has a molecular weight of 212.25 g/mol, XLogP of 2.09, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydro-5H-pyrido[4,3-c][1]benzazepin-11-ol is sourced from PubChem (CID 70399337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).