2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one

C13H12N2O — CID 57265088

IUPAC2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one
SMILESO=c1[nH]ccc2c1Cc1ccccc1NC2
InChIInChI=1S/C13H12N2O/c16-13-11-7-9-3-1-2-4-12(9)15-8-10(11)5-6-14-13/h1-6,15H,7-8H2,(H,14,16)
InChIKeyHOJUQWWYELUWRR-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.89
Rot. Bonds

About 2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one

2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one (PubChem CID 57265088) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one.

Molecular Properties

Compound Name2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one
PubChem CID57265088
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one
SMILESO=c1[nH]ccc2c1Cc1ccccc1NC2
InChIInChI=1S/C13H12N2O/c16-13-11-7-9-3-1-2-4-12(9)15-8-10(11)5-6-14-13/h1-6,15H,7-8H2,(H,14,16)
InChIKeyHOJUQWWYELUWRR-UHFFFAOYSA-N
XLogP1.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1,3-dihydroindol-2-one;imidazolidin-2-one
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1,3,4,7-tetrahydropyrrolo[2,3-d]pyrimidin-2-one
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7-methylidene-3-azabicyclo[4.2.0]octa-1(6),4-dien-2-one
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9,18-diazatetracyclo[9.8.0.03,8.012,17]nonadeca-1(11),3,5,7,12,14,16-heptaene-10,19-dione
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Frequently Asked Questions

What is the IUPAC name of 2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one?
The IUPAC name of 2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one (CID 57265088) is 2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one.
What is the SMILES notation for 2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one?
The canonical SMILES for 2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one is O=c1[nH]ccc2c1Cc1ccccc1NC2.
What is the InChIKey of 2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one?
The InChIKey is HOJUQWWYELUWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-11-7-9-3-1-2-4-12(9)15-8-10(11)5-6-14-13/h1-6,15H,7-8H2,(H,14,16).
What are the key properties of 2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one?
2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one has a molecular weight of 212.25 g/mol, XLogP of 1.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,11-tetrahydropyrido[4,3-c][1]benzazepin-1-one is sourced from PubChem (CID 57265088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).