1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile

C18H18N2O2 — CID 170110102

IUPAC1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile
SMILESCCN1C(=O)C2(C=C(C#N)C(=O)C(C)(C)C2)c2ccccc21
InChIInChI=1S/C18H18N2O2/c1-4-20-14-8-6-5-7-13(14)18(16(20)22)9-12(10-19)15(21)17(2,3)11-18/h5-9H,4,11H2,1-3H3
InChIKeyIPOPYLVOHFXKLO-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.74
Rot. Bonds1

About 1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile

1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile (PubChem CID 170110102) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile.

Molecular Properties

Compound Name1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile
PubChem CID170110102
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile
SMILESCCN1C(=O)C2(C=C(C#N)C(=O)C(C)(C)C2)c2ccccc21
InChIInChI=1S/C18H18N2O2/c1-4-20-14-8-6-5-7-13(14)18(16(20)22)9-12(10-19)15(21)17(2,3)11-18/h5-9H,4,11H2,1-3H3
InChIKeyIPOPYLVOHFXKLO-UHFFFAOYSA-N
XLogP2.74
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-5,5-dimethyl-3-(2-methylphenoxy)-6-oxocyclohexene-1-carbonitrile
CID 166945731
(1S)-1,5',5'-trimethyl-6'-oxospiro[1H-2-benzofuran-3,3'-cyclohexene]-1'-carbonitrile
CID 162442309
3-(aminomethyl)-3,5,5-trimethyl-6-oxocyclohexene-1-carbonitrile
CID 162441856
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
(1aR,7bR)-3-ethyl-1a-methyl-1,7b-dihydrocyclopropa[c]quinolin-2-one
CID 134967255
4-[4-[2-(1-ethyl-2-oxo-3-phenylindol-3-yl)ethyl]piperazin-1-yl]benzonitrile
CID 57040062
1,3-diethyl-3-methylsulfanylindol-2-one
CID 170423033
1-ethylspiro[indole-3,3'-pyrrolidine]-2-one
CID 121199787
1'-ethylspiro[2H-1-benzofuran-3,3'-indole]-2'-one
CID 59352101
3-[(4-chlorophenyl)methyl]-1-ethyl-3-methylindol-2-one
CID 122371126
1-ethyl-5,5-dimethyl-3-(methylamino)-3,4-dihydro-1-benzazepin-2-one
CID 23554449
3,4-bis[(E)-(1-ethyl-3,3-dimethylindol-2-ylidene)methyl]cyclobut-3-ene-1,2-dione
CID 177405876

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile?
The IUPAC name of 1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile (CID 170110102) is 1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile.
What is the SMILES notation for 1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile?
The canonical SMILES for 1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile is CCN1C(=O)C2(C=C(C#N)C(=O)C(C)(C)C2)c2ccccc21.
What is the InChIKey of 1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile?
The InChIKey is IPOPYLVOHFXKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-4-20-14-8-6-5-7-13(14)18(16(20)22)9-12(10-19)15(21)17(2,3)11-18/h5-9H,4,11H2,1-3H3.
What are the key properties of 1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile?
1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile has a molecular weight of 294.35 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-5,5-dimethyl-2',6-dioxospiro[cyclohexene-3,3'-indole]-1-carbonitrile is sourced from PubChem (CID 170110102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).