8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile

C18H20N2O2 — CID 166945814

IUPAC8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
SMILESCC1(C)CC2(C=C(C#N)C1O)CCN(c1ccccc1)C2=O
InChIInChI=1S/C18H20N2O2/c1-17(2)12-18(10-13(11-19)15(17)21)8-9-20(16(18)22)14-6-4-3-5-7-14/h3-7,10,15,21H,8-9,12H2,1-2H3
InChIKeyPRIBJDAOBBOMFJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.65
Rot. Bonds1

About 8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile

8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile (PubChem CID 166945814) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile.

Molecular Properties

Compound Name8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
PubChem CID166945814
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
SMILESCC1(C)CC2(C=C(C#N)C1O)CCN(c1ccccc1)C2=O
InChIInChI=1S/C18H20N2O2/c1-17(2)12-18(10-13(11-19)15(17)21)8-9-20(16(18)22)14-6-4-3-5-7-14/h3-7,10,15,21H,8-9,12H2,1-2H3
InChIKeyPRIBJDAOBBOMFJ-UHFFFAOYSA-N
XLogP2.65
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
The IUPAC name of 8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile (CID 166945814) is 8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile.
What is the SMILES notation for 8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
The canonical SMILES for 8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile is CC1(C)CC2(C=C(C#N)C1O)CCN(c1ccccc1)C2=O.
What is the InChIKey of 8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
The InChIKey is PRIBJDAOBBOMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-17(2)12-18(10-13(11-19)15(17)21)8-9-20(16(18)22)14-6-4-3-5-7-14/h3-7,10,15,21H,8-9,12H2,1-2H3.
What are the key properties of 8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9,9-dimethyl-1-oxo-2-phenyl-2-azaspiro[4.5]dec-6-ene-7-carbonitrile is sourced from PubChem (CID 166945814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).