1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one

C20H22N2O — CID 3733026

IUPAC1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC1(C)NCCC12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C20H22N2O/c1-19(2)20(12-13-21-19)16-10-6-7-11-17(16)22(18(20)23)14-15-8-4-3-5-9-15/h3-11,21H,12-14H2,1-2H3
InChIKeyDDUFVSMGVTZHAR-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.24
Rot. Bonds2

About 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one

1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 3733026) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID3733026
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one
SMILESCC1(C)NCCC12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C20H22N2O/c1-19(2)20(12-13-21-19)16-10-6-7-11-17(16)22(18(20)23)14-15-8-4-3-5-9-15/h3-11,21H,12-14H2,1-2H3
InChIKeyDDUFVSMGVTZHAR-UHFFFAOYSA-N
XLogP3.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5095
Ropinirole Hydrochloride
CID 68727
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
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DR-4004
CID 9843179
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
3-Benzyl-1,3-dihydroindol-2-one
CID 347328
3,3-Dimethyl-1,3-dihydro-indol-2-one
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1-methyl-N-phenyl-2-sulfanylidene-2,3-dihydro-1H-indole-3-carboxamide
CID 5328618
(3E)-3-{[4-(dimethylamino)phenyl]methylidene}-2,3-dihydro-1H-indol-2-one
CID 5353593
3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
(3E)-3-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]-1H-indol-2-one
CID 5703613
3,3-bis(4-aminophenyl)-1H-indol-2-one
CID 2894099

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one (CID 3733026) is 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one is CC1(C)NCCC12C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is DDUFVSMGVTZHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-19(2)20(12-13-21-19)16-10-6-7-11-17(16)22(18(20)23)14-15-8-4-3-5-9-15/h3-11,21H,12-14H2,1-2H3.
What are the key properties of 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one?
1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2',2'-dimethylspiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 3733026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).