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

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Related Compounds

3-methyl-4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-6-carbonitrile
CID 104720264
2-(methoxymethyl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
CID 104720315
7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79296030
4-oxo-2-propan-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepine-6-carbonitrile
CID 113445144
2-(1-methylpyrazol-4-yl)-3-oxo-2,4-dihydro-1H-quinoxaline-5-carbonitrile
CID 104720318
10-oxo-2,9-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-triene-7-carbonitrile
CID 104720312
8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
CID 104839626
6-chloro-4'-methylspiro[1,4-dihydropyrido[2,3-b]pyrazine-3,1'-cyclohexane]-2-one
CID 113316813
3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid
CID 115544027
3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-6-carbonitrile
CID 105356163
2,2-dimethyl-5-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pentanenitrile
CID 65257745
CID 138502844
CID 138502844

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).