(2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C25H27N3O3 — CID 166621734

IUPAC(2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1CCCN1CCCC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccccc1
InChIInChI=1S/C25H27N3O3/c29-21-12-6-15-27(21)16-7-13-22(30)28-17-14-25(23(28)18-8-2-1-3-9-18)19-10-4-5-11-20(19)26-24(25)31/h1-5,8-11,23H,6-7,12-17H2,(H,26,31)/t23-,25+/m0/s1
InChIKeyDJGBWKUPOIMGSL-UKILVPOCSA-N
MW417.51 g/mol
LogP3.25
Rot. Bonds5

About (2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166621734) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is (2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166621734
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name(2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1CCCN1CCCC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccccc1
InChIInChI=1S/C25H27N3O3/c29-21-12-6-15-27(21)16-7-13-22(30)28-17-14-25(23(28)18-8-2-1-3-9-18)19-10-4-5-11-20(19)26-24(25)31/h1-5,8-11,23H,6-7,12-17H2,(H,26,31)/t23-,25+/m0/s1
InChIKeyDJGBWKUPOIMGSL-UKILVPOCSA-N
XLogP3.25
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612829
(2'S,3R)-2'-(1-methylpyrazol-4-yl)-1'-[2-(2-oxoazepan-1-yl)acetyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623015
methyl 5-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-5-oxopentanoate
CID 166614253
1'-(3-ethoxypropanoyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166617276
5-[2-oxo-2-(2-oxo-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 166621790
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
formic acid;(2'S,3R)-1'-[2-[methyl(propan-2-yl)amino]acetyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171712728
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931
N-[3-[2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-3-oxopropyl]acetamide
CID 166612735
(2'S,3R)-2'-(3-methoxyphenyl)-1'-[3-(1,2,4-triazol-4-yl)propanoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613922
(2'S,3R)-1'-(1-ethyl-5-methylpyrazole-3-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613792

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166621734) is (2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1CCCN1CCCC(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccccc1.
What is the InChIKey of (2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is DJGBWKUPOIMGSL-UKILVPOCSA-N. The full InChI is InChI=1S/C25H27N3O3/c29-21-12-6-15-27(21)16-7-13-22(30)28-17-14-25(23(28)18-8-2-1-3-9-18)19-10-4-5-11-20(19)26-24(25)31/h1-5,8-11,23H,6-7,12-17H2,(H,26,31)/t23-,25+/m0/s1.
What are the key properties of (2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 417.51 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166621734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).