3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one

C13H13NO — CID 89120723

IUPAC3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one
SMILESO=C1CCC2=NCC=C3C=CC=CC3C12
InChIInChI=1S/C13H13NO/c15-12-6-5-11-13(12)10-4-2-1-3-9(10)7-8-14-11/h1-4,7,10,13H,5-6,8H2
InChIKeyRASZXNYWTIBFSV-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.09
Rot. Bonds

About 3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one

3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one (PubChem CID 89120723) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one.

Molecular Properties

Compound Name3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one
PubChem CID89120723
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one
SMILESO=C1CCC2=NCC=C3C=CC=CC3C12
InChIInChI=1S/C13H13NO/c15-12-6-5-11-13(12)10-4-2-1-3-9(10)7-8-14-11/h1-4,7,10,13H,5-6,8H2
InChIKeyRASZXNYWTIBFSV-UHFFFAOYSA-N
XLogP2.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-hydroxy-3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one
CID 89629103
3-Cyclohexa-2,4-dien-1-ylimino-2-methylcyclopentan-1-one
CID 123686412
9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one
CID 123757263

Frequently Asked Questions

What is the IUPAC name of 3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one?
The IUPAC name of 3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one (CID 89120723) is 3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one.
What is the SMILES notation for 3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one?
The canonical SMILES for 3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one is O=C1CCC2=NCC=C3C=CC=CC3C12.
What is the InChIKey of 3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one?
The InChIKey is RASZXNYWTIBFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c15-12-6-5-11-13(12)10-4-2-1-3-9(10)7-8-14-11/h1-4,7,10,13H,5-6,8H2.
What are the key properties of 3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one?
3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one has a molecular weight of 199.25 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,10a,10b-tetrahydro-2H-cyclopenta[a][3]benzazepin-1-one is sourced from PubChem (CID 89120723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).