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

C19H20N2O2 — CID 162442130

IUPAC2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
SMILESCC1(C)CC2(C=C(C#N)C1=O)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H20N2O2/c1-18(2)12-19(10-15(11-20)16(18)22)8-9-21(13-19)17(23)14-6-4-3-5-7-14/h3-7,10H,8-9,12-13H2,1-2H3
InChIKeyZUGPDCKKXVYHOV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.97
Rot. Bonds1

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

2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile (PubChem CID 162442130) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile.

Molecular Properties

Compound Name2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
PubChem CID162442130
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile
SMILESCC1(C)CC2(C=C(C#N)C1=O)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H20N2O2/c1-18(2)12-19(10-15(11-20)16(18)22)8-9-21(13-19)17(23)14-6-4-3-5-7-14/h3-7,10H,8-9,12-13H2,1-2H3
InChIKeyZUGPDCKKXVYHOV-UHFFFAOYSA-N
XLogP2.97
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
The IUPAC name of 2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile (CID 162442130) is 2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile.
What is the SMILES notation for 2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
The canonical SMILES for 2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile is CC1(C)CC2(C=C(C#N)C1=O)CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
The InChIKey is ZUGPDCKKXVYHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-18(2)12-19(10-15(11-20)16(18)22)8-9-21(13-19)17(23)14-6-4-3-5-7-14/h3-7,10H,8-9,12-13H2,1-2H3.
What are the key properties of 2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile?
2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-9,9-dimethyl-8-oxo-2-azaspiro[4.5]dec-6-ene-7-carbonitrile is sourced from PubChem (CID 162442130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).