(5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one

C19H17NO2 — CID 139090631

IUPAC(5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one
SMILESO=C1OCC[C@@]12CC(c1ccccc1)=N[C@@H]2c1ccccc1
InChIInChI=1S/C19H17NO2/c21-18-19(11-12-22-18)13-16(14-7-3-1-4-8-14)20-17(19)15-9-5-2-6-10-15/h1-10,17H,11-13H2/t17-,19+/m1/s1
InChIKeyUHVYJPIBTLIHNO-MJGOQNOKSA-N
MW291.35 g/mol
LogP3.55
Rot. Bonds2

About (5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one

(5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one (PubChem CID 139090631) has the molecular formula C19H17NO2 and a molecular weight of 291.35 g/mol. Its IUPAC name is (5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one.

Molecular Properties

Compound Name(5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one
PubChem CID139090631
Molecular FormulaC19H17NO2
Molecular Weight291.35 g/mol
Exact Mass291.13
IUPAC Name(5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one
SMILESO=C1OCC[C@@]12CC(c1ccccc1)=N[C@@H]2c1ccccc1
InChIInChI=1S/C19H17NO2/c21-18-19(11-12-22-18)13-16(14-7-3-1-4-8-14)20-17(19)15-9-5-2-6-10-15/h1-10,17H,11-13H2/t17-,19+/m1/s1
InChIKeyUHVYJPIBTLIHNO-MJGOQNOKSA-N
XLogP3.55
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one?
The IUPAC name of (5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one (CID 139090631) is (5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one.
What is the SMILES notation for (5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one?
The canonical SMILES for (5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one is O=C1OCC[C@@]12CC(c1ccccc1)=N[C@@H]2c1ccccc1.
What is the InChIKey of (5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one?
The InChIKey is UHVYJPIBTLIHNO-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H17NO2/c21-18-19(11-12-22-18)13-16(14-7-3-1-4-8-14)20-17(19)15-9-5-2-6-10-15/h1-10,17H,11-13H2/t17-,19+/m1/s1.
What are the key properties of (5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one?
(5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one has a molecular weight of 291.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6,8-diphenyl-2-oxa-7-azaspiro[4.4]non-7-en-1-one is sourced from PubChem (CID 139090631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).