12bH-pyrido[2,1-a][2]benzazepin-6-one

C14H11NO — CID 22168440

IUPAC12bH-pyrido[2,1-a][2]benzazepin-6-one
SMILESO=C1C=Cc2ccccc2C2C=CC=CN12
InChIInChI=1S/C14H11NO/c16-14-9-8-11-5-1-2-6-12(11)13-7-3-4-10-15(13)14/h1-10,13H
InChIKeyGJIAUTOBMCSJHK-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.67
Rot. Bonds

About 12bH-pyrido[2,1-a][2]benzazepin-6-one

12bH-pyrido[2,1-a][2]benzazepin-6-one (PubChem CID 22168440) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 12bH-pyrido[2,1-a][2]benzazepin-6-one.

Molecular Properties

Compound Name12bH-pyrido[2,1-a][2]benzazepin-6-one
PubChem CID22168440
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name12bH-pyrido[2,1-a][2]benzazepin-6-one
SMILESO=C1C=Cc2ccccc2C2C=CC=CN12
InChIInChI=1S/C14H11NO/c16-14-9-8-11-5-1-2-6-12(11)13-7-3-4-10-15(13)14/h1-10,13H
InChIKeyGJIAUTOBMCSJHK-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 12bH-pyrido[2,1-a][2]benzazepin-6-one?
The IUPAC name of 12bH-pyrido[2,1-a][2]benzazepin-6-one (CID 22168440) is 12bH-pyrido[2,1-a][2]benzazepin-6-one.
What is the SMILES notation for 12bH-pyrido[2,1-a][2]benzazepin-6-one?
The canonical SMILES for 12bH-pyrido[2,1-a][2]benzazepin-6-one is O=C1C=Cc2ccccc2C2C=CC=CN12.
What is the InChIKey of 12bH-pyrido[2,1-a][2]benzazepin-6-one?
The InChIKey is GJIAUTOBMCSJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c16-14-9-8-11-5-1-2-6-12(11)13-7-3-4-10-15(13)14/h1-10,13H.
What are the key properties of 12bH-pyrido[2,1-a][2]benzazepin-6-one?
12bH-pyrido[2,1-a][2]benzazepin-6-one has a molecular weight of 209.25 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12bH-pyrido[2,1-a][2]benzazepin-6-one is sourced from PubChem (CID 22168440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).