9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

C21H19NO3 — CID 43859637

IUPAC9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESO=C1C2C3CC4C(OC(c5ccccc5)(C42)N1c1ccccc1)C3O
InChIInChI=1S/C21H19NO3/c23-18-14-11-15-17-16(14)20(24)22(13-9-5-2-6-10-13)21(17,25-19(15)18)12-7-3-1-4-8-12/h1-10,14-19,23H,11H2
InChIKeyHLYKLAQXILYDAE-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.53
Rot. Bonds2

About 9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one

9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859637) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859637
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESO=C1C2C3CC4C(OC(c5ccccc5)(C42)N1c1ccccc1)C3O
InChIInChI=1S/C21H19NO3/c23-18-14-11-15-17-16(14)20(24)22(13-9-5-2-6-10-13)21(17,25-19(15)18)12-7-3-1-4-8-12/h1-10,14-19,23H,11H2
InChIKeyHLYKLAQXILYDAE-UHFFFAOYSA-N
XLogP2.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859637) is 9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is O=C1C2C3CC4C(OC(c5ccccc5)(C42)N1c1ccccc1)C3O.
What is the InChIKey of 9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is HLYKLAQXILYDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-18-14-11-15-17-16(14)20(24)22(13-9-5-2-6-10-13)21(17,25-19(15)18)12-7-3-1-4-8-12/h1-10,14-19,23H,11H2.
What are the key properties of 9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 333.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5,6-diphenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).