1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione

C23H26N2O4 — CID 9285618

IUPAC1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CN1CCC[C@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C23H26N2O4/c1-4-15-7-10-20-18(12-15)22(26)23(27)25(20)14-24-11-5-6-19(24)17-9-8-16(28-2)13-21(17)29-3/h7-10,12-13,19H,4-6,11,14H2,1-3H3/t19-/m0/s1
InChIKeyZHBWVQXNUKAXNU-IBGZPJMESA-N
MW394.47 g/mol
LogP3.59
Rot. Bonds6

About 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione

1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione (PubChem CID 9285618) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione.

Molecular Properties

Compound Name1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione
PubChem CID9285618
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2CN1CCC[C@H]1c1ccc(OC)cc1OC
InChIInChI=1S/C23H26N2O4/c1-4-15-7-10-20-18(12-15)22(26)23(27)25(20)14-24-11-5-6-19(24)17-9-8-16(28-2)13-21(17)29-3/h7-10,12-13,19H,4-6,11,14H2,1-3H3/t19-/m0/s1
InChIKeyZHBWVQXNUKAXNU-IBGZPJMESA-N
XLogP3.59
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione
CID 9285476
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 9285600
3-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9285506
4-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-7-ethylchromen-2-one
CID 42893225
1-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5-methylindole-2,3-dione
CID 9324728
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 8853855
4-amino-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 25360535
4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 124886513
(5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
CID 9318556
methyl N-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]acetyl]carbamate
CID 8856176
4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
CID 94385398

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione?
The IUPAC name of 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione (CID 9285618) is 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione.
What is the SMILES notation for 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione?
The canonical SMILES for 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione is CCc1ccc2c(c1)C(=O)C(=O)N2CN1CCC[C@H]1c1ccc(OC)cc1OC.
What is the InChIKey of 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione?
The InChIKey is ZHBWVQXNUKAXNU-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-15-7-10-20-18(12-15)22(26)23(27)25(20)14-24-11-5-6-19(24)17-9-8-16(28-2)13-21(17)29-3/h7-10,12-13,19H,4-6,11,14H2,1-3H3/t19-/m0/s1.
What are the key properties of 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione?
1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione has a molecular weight of 394.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione is sourced from PubChem (CID 9285618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).