8H-cyclopenta[i][2]benzazepin-1-one

C13H9NO — CID 91576056

IUPAC8H-cyclopenta[i][2]benzazepin-1-one
SMILESO=c1ncccc2ccc3c(c12)C=CC3
InChIInChI=1S/C13H9NO/c15-13-12-10(4-2-8-14-13)7-6-9-3-1-5-11(9)12/h1-2,4-8H,3H2
InChIKeyDCRPYHRZCJVSPW-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.16
Rot. Bonds

About 8H-cyclopenta[i][2]benzazepin-1-one

8H-cyclopenta[i][2]benzazepin-1-one (PubChem CID 91576056) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 8H-cyclopenta[i][2]benzazepin-1-one.

Molecular Properties

Compound Name8H-cyclopenta[i][2]benzazepin-1-one
PubChem CID91576056
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name8H-cyclopenta[i][2]benzazepin-1-one
SMILESO=c1ncccc2ccc3c(c12)C=CC3
InChIInChI=1S/C13H9NO/c15-13-12-10(4-2-8-14-13)7-6-9-3-1-5-11(9)12/h1-2,4-8H,3H2
InChIKeyDCRPYHRZCJVSPW-UHFFFAOYSA-N
XLogP2.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-methyl-1H-phenalene;1H-phenalene
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Frequently Asked Questions

What is the IUPAC name of 8H-cyclopenta[i][2]benzazepin-1-one?
The IUPAC name of 8H-cyclopenta[i][2]benzazepin-1-one (CID 91576056) is 8H-cyclopenta[i][2]benzazepin-1-one.
What is the SMILES notation for 8H-cyclopenta[i][2]benzazepin-1-one?
The canonical SMILES for 8H-cyclopenta[i][2]benzazepin-1-one is O=c1ncccc2ccc3c(c12)C=CC3.
What is the InChIKey of 8H-cyclopenta[i][2]benzazepin-1-one?
The InChIKey is DCRPYHRZCJVSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c15-13-12-10(4-2-8-14-13)7-6-9-3-1-5-11(9)12/h1-2,4-8H,3H2.
What are the key properties of 8H-cyclopenta[i][2]benzazepin-1-one?
8H-cyclopenta[i][2]benzazepin-1-one has a molecular weight of 195.22 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-cyclopenta[i][2]benzazepin-1-one is sourced from PubChem (CID 91576056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).