4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile

C15H17N3O — CID 104720282

IUPAC4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile
SMILESCC1CCC2(CC1)Nc1cccc(C#N)c1NC2=O
InChIInChI=1S/C15H17N3O/c1-10-5-7-15(8-6-10)14(19)17-13-11(9-16)3-2-4-12(13)18-15/h2-4,10,18H,5-8H2,1H3,(H,17,19)
InChIKeyXJXMYDKXGIDKRQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.87
Rot. Bonds

About 4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile

4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile (PubChem CID 104720282) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile.

Molecular Properties

Compound Name4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile
PubChem CID104720282
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile
SMILESCC1CCC2(CC1)Nc1cccc(C#N)c1NC2=O
InChIInChI=1S/C15H17N3O/c1-10-5-7-15(8-6-10)14(19)17-13-11(9-16)3-2-4-12(13)18-15/h2-4,10,18H,5-8H2,1H3,(H,17,19)
InChIKeyXJXMYDKXGIDKRQ-UHFFFAOYSA-N
XLogP2.87
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile 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 4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile?
The IUPAC name of 4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile (CID 104720282) is 4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile.
What is the SMILES notation for 4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile?
The canonical SMILES for 4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile is CC1CCC2(CC1)Nc1cccc(C#N)c1NC2=O.
What is the InChIKey of 4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile?
The InChIKey is XJXMYDKXGIDKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-5-7-15(8-6-10)14(19)17-13-11(9-16)3-2-4-12(13)18-15/h2-4,10,18H,5-8H2,1H3,(H,17,19).
What are the key properties of 4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile?
4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 2.87, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-methyl-3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclohexane]-5-carbonitrile is sourced from PubChem (CID 104720282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).