1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione

C24H28N2O4 — CID 9285476

IUPAC1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione
SMILESCOc1ccc([C@H]2CCCN2CN2C(=O)C(=O)c3cc(C(C)C)ccc32)c(OC)c1
InChIInChI=1S/C24H28N2O4/c1-15(2)16-7-10-21-19(12-16)23(27)24(28)26(21)14-25-11-5-6-20(25)18-9-8-17(29-3)13-22(18)30-4/h7-10,12-13,15,20H,5-6,11,14H2,1-4H3/t20-/m1/s1
InChIKeyMSLHHWDHUDIOEG-HXUWFJFHSA-N
MW408.50 g/mol
LogP4.15
Rot. Bonds6

About 1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione

1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione (PubChem CID 9285476) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione.

Molecular Properties

Compound Name1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione
PubChem CID9285476
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione
SMILESCOc1ccc([C@H]2CCCN2CN2C(=O)C(=O)c3cc(C(C)C)ccc32)c(OC)c1
InChIInChI=1S/C24H28N2O4/c1-15(2)16-7-10-21-19(12-16)23(27)24(28)26(21)14-25-11-5-6-20(25)18-9-8-17(29-3)13-22(18)30-4/h7-10,12-13,15,20H,5-6,11,14H2,1-4H3/t20-/m1/s1
InChIKeyMSLHHWDHUDIOEG-HXUWFJFHSA-N
XLogP4.15
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.15
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-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione
CID 9285618
1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 9285600
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
3-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9285506
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
2-(5-methoxy-2,3-dioxoindol-1-yl)-N-propan-2-ylacetamide
CID 61355137
1-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-propan-2-ylindole-2,3-dione
CID 174421181
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
2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 51671873
4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]butane-1-sulfonic acid
CID 8834922

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione?
The IUPAC name of 1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione (CID 9285476) is 1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione.
What is the SMILES notation for 1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione?
The canonical SMILES for 1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione is COc1ccc([C@H]2CCCN2CN2C(=O)C(=O)c3cc(C(C)C)ccc32)c(OC)c1.
What is the InChIKey of 1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione?
The InChIKey is MSLHHWDHUDIOEG-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-15(2)16-7-10-21-19(12-16)23(27)24(28)26(21)14-25-11-5-6-20(25)18-9-8-17(29-3)13-22(18)30-4/h7-10,12-13,15,20H,5-6,11,14H2,1-4H3/t20-/m1/s1.
What are the key properties of 1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione?
1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione has a molecular weight of 408.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-propan-2-ylindole-2,3-dione is sourced from PubChem (CID 9285476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).