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

C15H15NO3 — CID 43859586

IUPAC9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESO=C1C2C3CC4C(OC(C42)N1c1ccccc1)C3O
InChIInChI=1S/C15H15NO3/c17-12-8-6-9-11-10(8)14(18)16(15(11)19-13(9)12)7-4-2-1-3-5-7/h1-5,8-13,15,17H,6H2
InChIKeyYYCZYYFGCLAYJS-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.00
Rot. Bonds1

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

9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (PubChem CID 43859586) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.

Molecular Properties

Compound Name9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
PubChem CID43859586
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
SMILESO=C1C2C3CC4C(OC(C42)N1c1ccccc1)C3O
InChIInChI=1S/C15H15NO3/c17-12-8-6-9-11-10(8)14(18)16(15(11)19-13(9)12)7-4-2-1-3-5-7/h1-5,8-13,15,17H,6H2
InChIKeyYYCZYYFGCLAYJS-UHFFFAOYSA-N
XLogP1.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The IUPAC name of 9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one (CID 43859586) is 9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one.
What is the SMILES notation for 9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The canonical SMILES for 9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is O=C1C2C3CC4C(OC(C42)N1c1ccccc1)C3O.
What is the InChIKey of 9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
The InChIKey is YYCZYYFGCLAYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-12-8-6-9-11-10(8)14(18)16(15(11)19-13(9)12)7-4-2-1-3-5-7/h1-5,8-13,15,17H,6H2.
What are the key properties of 9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one?
9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one has a molecular weight of 257.29 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-5-phenyl-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one is sourced from PubChem (CID 43859586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).