1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione

C22H24N2O3 — CID 9324728

IUPAC1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione
SMILESCCOc1ccc([C@H]2CCCN2CN2C(=O)C(=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C22H24N2O3/c1-3-27-17-9-7-16(8-10-17)19-5-4-12-23(19)14-24-20-11-6-15(2)13-18(20)21(25)22(24)26/h6-11,13,19H,3-5,12,14H2,1-2H3/t19-/m1/s1
InChIKeyVMCDLEDTUGKLKZ-LJQANCHMSA-N
MW364.45 g/mol
LogP3.72
Rot. Bonds5

About 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione

1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione (PubChem CID 9324728) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione.

Molecular Properties

Compound Name1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione
PubChem CID9324728
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione
SMILESCCOc1ccc([C@H]2CCCN2CN2C(=O)C(=O)c3cc(C)ccc32)cc1
InChIInChI=1S/C22H24N2O3/c1-3-27-17-9-7-16(8-10-17)19-5-4-12-23(19)14-24-20-11-6-15(2)13-18(20)21(25)22(24)26/h6-11,13,19H,3-5,12,14H2,1-2H3/t19-/m1/s1
InChIKeyVMCDLEDTUGKLKZ-LJQANCHMSA-N
XLogP3.72
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]indole-2,3-dione
CID 9324483
3-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9324578
1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione
CID 9285618
3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 25434545
1-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 37471199
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 112806434
1-[(4-butoxyphenyl)methyl]-5-methylindole-2,3-dione
CID 4275201
2-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-4-(2-methylphenyl)-1,2,4-triazole-3-thione
CID 40687027
4-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethoxy]benzenesulfonamide
CID 46662798
1-(2-cyclopropyl-2-oxoethyl)-5-methylindole-2,3-dione
CID 63914584
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 47014126
(2S)-1-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-ethoxyphenyl)pyrrolidine
CID 39991594

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione?
The IUPAC name of 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione (CID 9324728) is 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione.
What is the SMILES notation for 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione?
The canonical SMILES for 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione is CCOc1ccc([C@H]2CCCN2CN2C(=O)C(=O)c3cc(C)ccc32)cc1.
What is the InChIKey of 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione?
The InChIKey is VMCDLEDTUGKLKZ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-27-17-9-7-16(8-10-17)19-5-4-12-23(19)14-24-20-11-6-15(2)13-18(20)21(25)22(24)26/h6-11,13,19H,3-5,12,14H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione?
1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione has a molecular weight of 364.45 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione is sourced from PubChem (CID 9324728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).