1,2-diphenyl-2-azaspiro[3.5]nonan-3-one

C20H21NO — CID 602417

IUPAC1,2-diphenyl-2-azaspiro[3.5]nonan-3-one
SMILESO=C1N(c2ccccc2)C(c2ccccc2)C12CCCCC2
InChIInChI=1S/C20H21NO/c22-19-20(14-8-3-9-15-20)18(16-10-4-1-5-11-16)21(19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyAEIVOTLFPKAXOZ-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.72
Rot. Bonds2

About 1,2-diphenyl-2-azaspiro[3.5]nonan-3-one

1,2-diphenyl-2-azaspiro[3.5]nonan-3-one (PubChem CID 602417) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1,2-diphenyl-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name1,2-diphenyl-2-azaspiro[3.5]nonan-3-one
PubChem CID602417
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1,2-diphenyl-2-azaspiro[3.5]nonan-3-one
SMILESO=C1N(c2ccccc2)C(c2ccccc2)C12CCCCC2
InChIInChI=1S/C20H21NO/c22-19-20(14-8-3-9-15-20)18(16-10-4-1-5-11-16)21(19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKeyAEIVOTLFPKAXOZ-UHFFFAOYSA-N
XLogP4.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of 1,2-diphenyl-2-azaspiro[3.5]nonan-3-one (CID 602417) is 1,2-diphenyl-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 1,2-diphenyl-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 1,2-diphenyl-2-azaspiro[3.5]nonan-3-one is O=C1N(c2ccccc2)C(c2ccccc2)C12CCCCC2.
What is the InChIKey of 1,2-diphenyl-2-azaspiro[3.5]nonan-3-one?
The InChIKey is AEIVOTLFPKAXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c22-19-20(14-8-3-9-15-20)18(16-10-4-1-5-11-16)21(19)17-12-6-2-7-13-17/h1-2,4-7,10-13,18H,3,8-9,14-15H2.
What are the key properties of 1,2-diphenyl-2-azaspiro[3.5]nonan-3-one?
1,2-diphenyl-2-azaspiro[3.5]nonan-3-one has a molecular weight of 291.39 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 602417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).