(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H25N3O2 — CID 166612829

IUPAC(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CN1CCCC1)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccccc1
InChIInChI=1S/C23H25N3O2/c27-20(16-25-13-6-7-14-25)26-15-12-23(21(26)17-8-2-1-3-9-17)18-10-4-5-11-19(18)24-22(23)28/h1-5,8-11,21H,6-7,12-16H2,(H,24,28)/t21-,23+/m0/s1
InChIKeyAIIODSOGNOIPBV-JTHBVZDNSA-N
MW375.47 g/mol
LogP2.95
Rot. Bonds3

About (2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166612829) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166612829
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C(CN1CCCC1)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccccc1
InChIInChI=1S/C23H25N3O2/c27-20(16-25-13-6-7-14-25)26-15-12-23(21(26)17-8-2-1-3-9-17)18-10-4-5-11-19(18)24-22(23)28/h1-5,8-11,21H,6-7,12-16H2,(H,24,28)/t21-,23+/m0/s1
InChIKeyAIIODSOGNOIPBV-JTHBVZDNSA-N
XLogP2.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]piperidine-4-carboxamide
CID 166614212
(2'S,3R)-1'-[4-(2-oxopyrrolidin-1-yl)butanoyl]-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621734
5-[2-oxo-2-(2-oxo-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 166621790
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931
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'-(3-cyclobutylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623782
1'-[2-(3-methyl-2-oxoimidazolidin-1-yl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622128
(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620952
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
(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
1'-(cyclohexanecarbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612985
1'-(2-oxo-1H-pyridine-4-carbonyl)-2'-phenylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624363

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166612829) is (2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C(CN1CCCC1)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1ccccc1.
What is the InChIKey of (2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is AIIODSOGNOIPBV-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-20(16-25-13-6-7-14-25)26-15-12-23(21(26)17-8-2-1-3-9-17)18-10-4-5-11-19(18)24-22(23)28/h1-5,8-11,21H,6-7,12-16H2,(H,24,28)/t21-,23+/m0/s1.
What are the key properties of (2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 375.47 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-phenyl-1'-(2-pyrrolidin-1-ylacetyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166612829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).