6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile

C23H21N3O — CID 171987469

IUPAC6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile
SMILESN#CC1(C#N)C(c2ccccc2)C12CCN(CC(=O)c1ccccc1)CC2
InChIInChI=1S/C23H21N3O/c24-16-23(17-25)21(19-9-5-2-6-10-19)22(23)11-13-26(14-12-22)15-20(27)18-7-3-1-4-8-18/h1-10,21H,11-15H2
InChIKeyOXNFVKDNAUMBRG-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.78
Rot. Bonds4

About 6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile

6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile (PubChem CID 171987469) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile.

Molecular Properties

Compound Name6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile
PubChem CID171987469
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile
SMILESN#CC1(C#N)C(c2ccccc2)C12CCN(CC(=O)c1ccccc1)CC2
InChIInChI=1S/C23H21N3O/c24-16-23(17-25)21(19-9-5-2-6-10-19)22(23)11-13-26(14-12-22)15-20(27)18-7-3-1-4-8-18/h1-10,21H,11-15H2
InChIKeyOXNFVKDNAUMBRG-UHFFFAOYSA-N
XLogP3.78
TPSA67.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile?
The IUPAC name of 6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile (CID 171987469) is 6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile.
What is the SMILES notation for 6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile?
The canonical SMILES for 6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile is N#CC1(C#N)C(c2ccccc2)C12CCN(CC(=O)c1ccccc1)CC2.
What is the InChIKey of 6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile?
The InChIKey is OXNFVKDNAUMBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c24-16-23(17-25)21(19-9-5-2-6-10-19)22(23)11-13-26(14-12-22)15-20(27)18-7-3-1-4-8-18/h1-10,21H,11-15H2.
What are the key properties of 6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile?
6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile has a molecular weight of 355.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenacyl-1-phenyl-6-azaspiro[2.5]octane-2,2-dicarbonitrile is sourced from PubChem (CID 171987469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).