8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one

C16H16N2O — CID 10354853

IUPAC8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one
SMILESO=c1c2c(n3c(c1-c1ccccc1)NCC3)CCC2
InChIInChI=1S/C16H16N2O/c19-15-12-7-4-8-13(12)18-10-9-17-16(18)14(15)11-5-2-1-3-6-11/h1-3,5-6,17H,4,7-10H2
InChIKeyXWCUNBYEQMGPHH-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.43
Rot. Bonds1

About 8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one

8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one (PubChem CID 10354853) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one.

Molecular Properties

Compound Name8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one
PubChem CID10354853
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one
SMILESO=c1c2c(n3c(c1-c1ccccc1)NCC3)CCC2
InChIInChI=1S/C16H16N2O/c19-15-12-7-4-8-13(12)18-10-9-17-16(18)14(15)11-5-2-1-3-6-11/h1-3,5-6,17H,4,7-10H2
InChIKeyXWCUNBYEQMGPHH-UHFFFAOYSA-N
XLogP2.43
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one?
The IUPAC name of 8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one (CID 10354853) is 8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one.
What is the SMILES notation for 8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one?
The canonical SMILES for 8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one is O=c1c2c(n3c(c1-c1ccccc1)NCC3)CCC2.
What is the InChIKey of 8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one?
The InChIKey is XWCUNBYEQMGPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-15-12-7-4-8-13(12)18-10-9-17-16(18)14(15)11-5-2-1-3-6-11/h1-3,5-6,17H,4,7-10H2.
What are the key properties of 8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one?
8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one has a molecular weight of 252.32 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-1,10-diazatricyclo[7.3.0.02,6]dodeca-2(6),8-dien-7-one is sourced from PubChem (CID 10354853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).