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

C22H24N2O2 — CID 165423546

IUPAC(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2ccccc2C)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O2/c1-3-8-19-22(17-11-6-7-12-18(17)23-21(22)26)13-14-24(19)20(25)16-10-5-4-9-15(16)2/h4-7,9-12,19H,3,8,13-14H2,1-2H3,(H,23,26)/t19-,22-/m0/s1
InChIKeyNCTPDGBAPWFUCA-UGKGYDQZSA-N
MW348.45 g/mol
LogP3.90
Rot. Bonds3

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

(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 165423546) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID165423546
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCCC[C@@H]1N(C(=O)c2ccccc2C)CC[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C22H24N2O2/c1-3-8-19-22(17-11-6-7-12-18(17)23-21(22)26)13-14-24(19)20(25)16-10-5-4-9-15(16)2/h4-7,9-12,19H,3,8,13-14H2,1-2H3,(H,23,26)/t19-,22-/m0/s1
InChIKeyNCTPDGBAPWFUCA-UGKGYDQZSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2'S,3R)-1'-(2-methylpyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427079
(2'S,3R)-1'-(2-fluoro-4-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614275
(2'S,3S)-1'-(6-oxo-2-propan-2-yl-1H-pyridine-3-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616559
(2'S,3S)-1'-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165427134
(2'S,3R)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618128
(2'S,3R)-1'-(1-methyl-2-oxopyridine-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616803
(2'S,3R)-1'-(1-ethylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619328
(2'S,3R)-1'-[2-(4-ethylpiperazin-1-yl)acetyl]-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166620952
(2'S,3R)-1'-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616899
(2'S,3R)-1'-(5-fluoropyridine-2-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613101
(2'S,3S)-1'-(4-hydroxycyclohexanecarbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618240
(2'S,3R)-1'-(2,3-difluoro-6-methoxybenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615210

Frequently Asked Questions

What is the IUPAC name of (2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 165423546) is (2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is CCC[C@@H]1N(C(=O)c2ccccc2C)CC[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is NCTPDGBAPWFUCA-UGKGYDQZSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-8-19-22(17-11-6-7-12-18(17)23-21(22)26)13-14-24(19)20(25)16-10-5-4-9-15(16)2/h4-7,9-12,19H,3,8,13-14H2,1-2H3,(H,23,26)/t19-,22-/m0/s1.
What are the key properties of (2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3S)-1'-(2-methylbenzoyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 165423546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).