(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C13H16N2O — CID 131857394

IUPAC(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCC[C@@H]1NCC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C13H16N2O/c1-2-11-13(7-8-14-11)9-5-3-4-6-10(9)15-12(13)16/h3-6,11,14H,2,7-8H2,1H3,(H,15,16)/t11-,13-/m0/s1
InChIKeyGOFSRVZDVQBWTO-AAEUAGOBSA-N
MW216.28 g/mol
LogP1.65
Rot. Bonds1

About (2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 131857394) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID131857394
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCC[C@@H]1NCC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C13H16N2O/c1-2-11-13(7-8-14-11)9-5-3-4-6-10(9)15-12(13)16/h3-6,11,14H,2,7-8H2,1H3,(H,15,16)/t11-,13-/m0/s1
InChIKeyGOFSRVZDVQBWTO-AAEUAGOBSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2'S,3R)-2'-(2,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905379
(2'R,3R)-2'-(3,4-dimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905363
(2'S,3S)-2'-(3-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 51971151
(2'R,3S)-2'-(3,4-dihydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905152
(2'S,3R)-2'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52899885
2'-(3,4,5-trimethoxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 52994353
2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52994313
(2'R,3S)-2'-(1,3-benzodioxol-5-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905278
(2'R,3S)-2'-(3-chloro-4-hydroxyphenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 52905044
(3S,3'R)-3'-(2-hydroxyethyl)spiro[1H-indole-3,4'-cyclohexene]-2-one
CID 102181510
2-ethyl-3-methyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55063141
1'-methyl-6'-pent-2-en-3-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione
CID 159303861

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 131857394) is (2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CC[C@@H]1NCC[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is GOFSRVZDVQBWTO-AAEUAGOBSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-11-13(7-8-14-11)9-5-3-4-6-10(9)15-12(13)16/h3-6,11,14H,2,7-8H2,1H3,(H,15,16)/t11-,13-/m0/s1.
What are the key properties of (2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-2'-ethylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 131857394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).