8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione

C17H13NO2 — CID 15654558

IUPAC8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione
SMILESO=C1CCc2c1nc1c(c2-c2ccccc2)CCC1=O
InChIInChI=1S/C17H13NO2/c19-13-8-6-11-15(10-4-2-1-3-5-10)12-7-9-14(20)17(12)18-16(11)13/h1-5H,6-9H2
InChIKeyLBCTXDATDMMHIQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.01
Rot. Bonds1

About 8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione

8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione (PubChem CID 15654558) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione.

Molecular Properties

Compound Name8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione
PubChem CID15654558
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione
SMILESO=C1CCc2c1nc1c(c2-c2ccccc2)CCC1=O
InChIInChI=1S/C17H13NO2/c19-13-8-6-11-15(10-4-2-1-3-5-10)12-7-9-14(20)17(12)18-16(11)13/h1-5H,6-9H2
InChIKeyLBCTXDATDMMHIQ-UHFFFAOYSA-N
XLogP3.01
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione?
The IUPAC name of 8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione (CID 15654558) is 8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione.
What is the SMILES notation for 8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione?
The canonical SMILES for 8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione is O=C1CCc2c1nc1c(c2-c2ccccc2)CCC1=O.
What is the InChIKey of 8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione?
The InChIKey is LBCTXDATDMMHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-13-8-6-11-15(10-4-2-1-3-5-10)12-7-9-14(20)17(12)18-16(11)13/h1-5H,6-9H2.
What are the key properties of 8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione?
8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione has a molecular weight of 263.30 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-4,12-dione is sourced from PubChem (CID 15654558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).