3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile

C23H22N4O3 — CID 101437663

IUPAC3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile
SMILESCN1C(=O)C(O)(C2(C#N)CCN(C)C23C(=O)N(C)c2ccccc23)c2ccccc21
InChIInChI=1S/C23H22N4O3/c1-25-13-12-21(14-24,22(25)15-8-4-6-10-17(15)26(2)19(22)28)23(30)16-9-5-7-11-18(16)27(3)20(23)29/h4-11,30H,12-13H2,1-3H3
InChIKeyAFUVJPWBFKVYSD-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.57
Rot. Bonds1

About 3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile

3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile (PubChem CID 101437663) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile.

Molecular Properties

Compound Name3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile
PubChem CID101437663
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile
SMILESCN1C(=O)C(O)(C2(C#N)CCN(C)C23C(=O)N(C)c2ccccc23)c2ccccc21
InChIInChI=1S/C23H22N4O3/c1-25-13-12-21(14-24,22(25)15-8-4-6-10-17(15)26(2)19(22)28)23(30)16-9-5-7-11-18(16)27(3)20(23)29/h4-11,30H,12-13H2,1-3H3
InChIKeyAFUVJPWBFKVYSD-UHFFFAOYSA-N
XLogP1.57
TPSA87.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-[(3S)-3-fluoro-1-methyl-2-oxoindol-3-yl]-3-hydroxy-1-methylindol-2-one
CID 139095917
CID 59909654
CID 59909654
(3R)-3-hydroxy-1,3-dimethylindol-2-one
CID 102086681
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
4-[3-(4-cyanophenyl)-1-methyl-2-oxoindol-3-yl]benzonitrile
CID 175909189
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
(3R)-3-hydroxy-1-methyl-3-(trifluoromethyl)indol-2-one
CID 92845660
2-amino-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 84719129
(4R,5S)-1,3-dibutyl-5-hydroxy-1'-methyl-5-phenylspiro[imidazolidine-4,3'-indole]-2,2'-dione
CID 102480435
1,3,3,4,4-pentamethylquinolin-2-one
CID 57425073
2-[[(3R)-1-methyl-2-oxospiro[indole-3,3'-piperidine]-1'-yl]methyl]benzonitrile
CID 95711129
3-tert-butylperoxy-1-methyl-2-oxoindole-3-carbonitrile
CID 132919206

Frequently Asked Questions

What is the IUPAC name of 3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile?
The IUPAC name of 3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile (CID 101437663) is 3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile.
What is the SMILES notation for 3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile?
The canonical SMILES for 3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile is CN1C(=O)C(O)(C2(C#N)CCN(C)C23C(=O)N(C)c2ccccc23)c2ccccc21.
What is the InChIKey of 3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile?
The InChIKey is AFUVJPWBFKVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-25-13-12-21(14-24,22(25)15-8-4-6-10-17(15)26(2)19(22)28)23(30)16-9-5-7-11-18(16)27(3)20(23)29/h4-11,30H,12-13H2,1-3H3.
What are the key properties of 3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile?
3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile has a molecular weight of 402.45 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-1,1'-dimethyl-2-oxospiro[indole-3,2'-pyrrolidine]-3'-carbonitrile is sourced from PubChem (CID 101437663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).