5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile

C13H9N3O — CID 163838439

IUPAC5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C#N)C1C#N
InChIInChI=1S/C13H9N3O/c1-7-2-3-11-8(4-7)13(12(17)16-11)9(5-14)10(13)6-15/h2-4,9-10H,1H3,(H,16,17)
InChIKeyOJVGWCZPWFBIOF-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.48
Rot. Bonds

About 5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile

5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile (PubChem CID 163838439) has the molecular formula C13H9N3O and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile.

Molecular Properties

Compound Name5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile
PubChem CID163838439
Molecular FormulaC13H9N3O
Molecular Weight223.23 g/mol
Exact Mass223.07
IUPAC Name5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile
SMILESCc1ccc2c(c1)C1(C(=O)N2)C(C#N)C1C#N
InChIInChI=1S/C13H9N3O/c1-7-2-3-11-8(4-7)13(12(17)16-11)9(5-14)10(13)6-15/h2-4,9-10H,1H3,(H,16,17)
InChIKeyOJVGWCZPWFBIOF-UHFFFAOYSA-N
XLogP1.48
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one
CID 175639660
5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 156760180
(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915747
4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 106702132
5-fluoro-2',3'-dimethylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58482281
tert-butyl (3S)-3,5-dimethyl-2-oxo-1H-indole-3-carboxylate
CID 177465055
5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91448943
3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile
CID 3153365
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
(1'S,4'R)-2-oxospiro[1H-indole-3,3'-bicyclo[2.2.1]hept-5-ene]-2'-carbonitrile
CID 127053093
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-methyl-1H-indol-2-one
CID 7333291
5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one
CID 45275938

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile?
The IUPAC name of 5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile (CID 163838439) is 5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile.
What is the SMILES notation for 5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile?
The canonical SMILES for 5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile is Cc1ccc2c(c1)C1(C(=O)N2)C(C#N)C1C#N.
What is the InChIKey of 5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile?
The InChIKey is OJVGWCZPWFBIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c1-7-2-3-11-8(4-7)13(12(17)16-11)9(5-14)10(13)6-15/h2-4,9-10H,1H3,(H,16,17).
What are the key properties of 5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile?
5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile has a molecular weight of 223.23 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile is sourced from PubChem (CID 163838439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).