1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C22H23N3O2 — CID 166621931

IUPAC1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CC1CCC1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1
InChIInChI=1S/C22H23N3O2/c26-19(13-15-5-3-6-15)25-12-10-22(20(25)16-7-4-11-23-14-16)17-8-1-2-9-18(17)24-21(22)27/h1-2,4,7-9,11,14-15,20H,3,5-6,10,12-13H2,(H,24,27)
InChIKeyRSHXLQBSPFFVAB-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.44
Rot. Bonds3

About 1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166621931) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166621931
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CC1CCC1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1
InChIInChI=1S/C22H23N3O2/c26-19(13-15-5-3-6-15)25-12-10-22(20(25)16-7-4-11-23-14-16)17-8-1-2-9-18(17)24-21(22)27/h1-2,4,7-9,11,14-15,20H,3,5-6,10,12-13H2,(H,24,27)
InChIKeyRSHXLQBSPFFVAB-UHFFFAOYSA-N
XLogP3.44
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1'-(3-cyclobutylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623782
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
1'-(cyclohexanecarbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612985
1'-(2-ethoxyacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615107
1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide
CID 166614212
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]propanamide
CID 166612704
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide
CID 166614526
formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324888
1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616556
1'-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622128
1'-(1-ethylpiperidine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614423
1'-(1-acetylpiperidine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165422586

Frequently Asked Questions

What is the IUPAC name of 1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166621931) is 1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(CC1CCC1)N1CCC2(C(=O)Nc3ccccc32)C1c1cccnc1.
What is the InChIKey of 1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is RSHXLQBSPFFVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-19(13-15-5-3-6-15)25-12-10-22(20(25)16-7-4-11-23-14-16)17-8-1-2-9-18(17)24-21(22)27/h1-2,4,7-9,11,14-15,20H,3,5-6,10,12-13H2,(H,24,27).
What are the key properties of 1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 361.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166621931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).