6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione

C20H19NO4 — CID 54708949

IUPAC6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione
SMILESO=c1cc(O)c2c(=O)n(-c3ccccc3)c3c(c2o1)CCCCCC3
InChIInChI=1S/C20H19NO4/c22-16-12-17(23)25-19-14-10-6-1-2-7-11-15(14)21(20(24)18(16)19)13-8-4-3-5-9-13/h3-5,8-9,12,22H,1-2,6-7,10-11H2
InChIKeyGFYSYGVHXSKARE-UHFFFAOYSA-N
MW337.37 g/mol
LogP3.31
Rot. Bonds1

About 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione

6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione (PubChem CID 54708949) has the molecular formula C20H19NO4 and a molecular weight of 337.37 g/mol. Its IUPAC name is 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione.

Molecular Properties

Compound Name6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione
PubChem CID54708949
Molecular FormulaC20H19NO4
Molecular Weight337.37 g/mol
Exact Mass337.13
IUPAC Name6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione
SMILESO=c1cc(O)c2c(=O)n(-c3ccccc3)c3c(c2o1)CCCCCC3
InChIInChI=1S/C20H19NO4/c22-16-12-17(23)25-19-14-10-6-1-2-7-11-15(14)21(20(24)18(16)19)13-8-4-3-5-9-13/h3-5,8-9,12,22H,1-2,6-7,10-11H2
InChIKeyGFYSYGVHXSKARE-UHFFFAOYSA-N
XLogP3.31
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione?
The IUPAC name of 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione (CID 54708949) is 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione.
What is the SMILES notation for 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione?
The canonical SMILES for 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione is O=c1cc(O)c2c(=O)n(-c3ccccc3)c3c(c2o1)CCCCCC3.
What is the InChIKey of 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione?
The InChIKey is GFYSYGVHXSKARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-16-12-17(23)25-19-14-10-6-1-2-7-11-15(14)21(20(24)18(16)19)13-8-4-3-5-9-13/h3-5,8-9,12,22H,1-2,6-7,10-11H2.
What are the key properties of 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione?
6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione has a molecular weight of 337.37 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-phenyl-3-oxa-9-azatricyclo[8.6.0.02,7]hexadeca-1(10),2(7),5-triene-4,8-dione is sourced from PubChem (CID 54708949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).