4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one

C18H15NO2 — CID 54693395

IUPAC4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
SMILESO=c1c(-c2ccccc2)c(O)c2cccc3c2n1CCC3
InChIInChI=1S/C18H15NO2/c20-17-14-10-4-8-13-9-5-11-19(16(13)14)18(21)15(17)12-6-2-1-3-7-12/h1-4,6-8,10,20H,5,9,11H2
InChIKeyINBVAMUNWGDTRP-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.32
Rot. Bonds1

About 4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one

4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one (PubChem CID 54693395) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
PubChem CID54693395
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one
SMILESO=c1c(-c2ccccc2)c(O)c2cccc3c2n1CCC3
InChIInChI=1S/C18H15NO2/c20-17-14-10-4-8-13-9-5-11-19(16(13)14)18(21)15(17)12-6-2-1-3-7-12/h1-4,6-8,10,20H,5,9,11H2
InChIKeyINBVAMUNWGDTRP-UHFFFAOYSA-N
XLogP3.32
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
The IUPAC name of 4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one (CID 54693395) is 4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one.
What is the SMILES notation for 4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
The canonical SMILES for 4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one is O=c1c(-c2ccccc2)c(O)c2cccc3c2n1CCC3.
What is the InChIKey of 4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
The InChIKey is INBVAMUNWGDTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c20-17-14-10-4-8-13-9-5-11-19(16(13)14)18(21)15(17)12-6-2-1-3-7-12/h1-4,6-8,10,20H,5,9,11H2.
What are the key properties of 4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one?
4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one has a molecular weight of 277.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-2-one is sourced from PubChem (CID 54693395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).