(2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile

C26H21N3O2 — CID 56647121

IUPAC(2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile
SMILESN#C[C@@H]1N(Cc2ccccc2)C(=O)C[C@]12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C26H21N3O2/c27-16-23-26(15-24(30)29(23)18-20-11-5-2-6-12-20)21-13-7-8-14-22(21)28(25(26)31)17-19-9-3-1-4-10-19/h1-14,23H,15,17-18H2/t23-,26+/m0/s1
InChIKeyDWIZWICABAOTIJ-JYFHCDHNSA-N
MW407.47 g/mol
LogP3.80
Rot. Bonds4

About (2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile

(2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile (PubChem CID 56647121) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is (2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile.

Molecular Properties

Compound Name(2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile
PubChem CID56647121
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name(2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile
SMILESN#C[C@@H]1N(Cc2ccccc2)C(=O)C[C@]12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C26H21N3O2/c27-16-23-26(15-24(30)29(23)18-20-11-5-2-6-12-20)21-13-7-8-14-22(21)28(25(26)31)17-19-9-3-1-4-10-19/h1-14,23H,15,17-18H2/t23-,26+/m0/s1
InChIKeyDWIZWICABAOTIJ-JYFHCDHNSA-N
XLogP3.80
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclopropane-2,3'-indole]-1-carbonitrile
CID 102289299
(3aR,8bR)-3-benzyl-4-methyl-8b-thiophen-3-yl-1,3a-dihydropyrrolo[2,3-b]indol-2-one
CID 102485739
(2R)-1'-benzyl-2'-oxospiro[cyclohex-3-ene-2,3'-indole]-1,1-dicarbonitrile
CID 102045340
CID 139189881
CID 139189881
1'-benzylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 7036178
(3S,4S)-1',2-dibenzyl-3-[4-(hydroxymethyl)phenyl]spiro[3H-isoquinoline-4,3'-4H-quinoline]-1,2'-dione
CID 23947522
3-[[(1S,2S)-2-(4-cyanophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 53247543
1,1''-dibenzyl-5''-chloro-5'-nitro-2,2''-dioxodispiro[indoline-3,1'-cyclopentane-2',3''-indoline]-3',3'-dicarbonitrile
CID 166436430
(3R)-1,3-dibenzyl-3-prop-2-enylindol-2-one
CID 102179958
1-benzyl-3-(6,6-dimethyl-4-oxooxan-3-yl)-3-hydroxyindol-2-one
CID 655041
(4aS,9aR)-1-benzyl-9-methyl-4a-phenyl-4,9a-dihydro-3H-pyrido[2,3-b]indol-2-one
CID 134945963
methyl 1'-benzyl-3-cyano-2'-oxospiro[cyclopent-3-ene-2,3'-indole]-1-carboxylate
CID 46198045

Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile?
The IUPAC name of (2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile (CID 56647121) is (2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile.
What is the SMILES notation for (2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile?
The canonical SMILES for (2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile is N#C[C@@H]1N(Cc2ccccc2)C(=O)C[C@]12C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of (2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile?
The InChIKey is DWIZWICABAOTIJ-JYFHCDHNSA-N. The full InChI is InChI=1S/C26H21N3O2/c27-16-23-26(15-24(30)29(23)18-20-11-5-2-6-12-20)21-13-7-8-14-22(21)28(25(26)31)17-19-9-3-1-4-10-19/h1-14,23H,15,17-18H2/t23-,26+/m0/s1.
What are the key properties of (2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile?
(2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile has a molecular weight of 407.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-1,1'-dibenzyl-2,5'-dioxospiro[indole-3,3'-pyrrolidine]-2'-carbonitrile is sourced from PubChem (CID 56647121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).