3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione

C19H24N2O4Si — CID 10690680

IUPAC3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCOC1=C(c2cn(COCC[Si](C)(C)C)c3ccccc23)C(=O)NC1=O
InChIInChI=1S/C19H24N2O4Si/c1-24-17-16(18(22)20-19(17)23)14-11-21(12-25-9-10-26(2,3)4)15-8-6-5-7-13(14)15/h5-8,11H,9-10,12H2,1-4H3,(H,20,22,23)
InChIKeyAFEYSJUPLMKYKG-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.97
Rot. Bonds7

About 3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione

3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 10690680) has the molecular formula C19H24N2O4Si and a molecular weight of 372.50 g/mol. Its IUPAC name is 3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID10690680
Molecular FormulaC19H24N2O4Si
Molecular Weight372.50 g/mol
Exact Mass372.15
IUPAC Name3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCOC1=C(c2cn(COCC[Si](C)(C)C)c3ccccc23)C(=O)NC1=O
InChIInChI=1S/C19H24N2O4Si/c1-24-17-16(18(22)20-19(17)23)14-11-21(12-25-9-10-26(2,3)4)15-8-6-5-7-13(14)15/h5-8,11H,9-10,12H2,1-4H3,(H,20,22,23)
InChIKeyAFEYSJUPLMKYKG-UHFFFAOYSA-N
XLogP2.97
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indol-3-yl)-1-methyl-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione
CID 25215540
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione
CID 25028895
trimethyl-[2-[(3-tributylstannylindol-1-yl)methoxy]ethyl]silane
CID 177464058
2-[3-[4-(2-methoxyphenyl)-2,5-dioxopyrrol-3-yl]indol-1-yl]acetaldehyde
CID 11726026
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
3-bromo-4-[1-(2-trimethylsilylethoxymethyl)indol-2-yl]pyrrole-2,5-dione
CID 10764648
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780242
trimethyl-[2-[(3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl]silane
CID 170762612
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279
3-(4-butoxyphenyl)-4-[1-[3-(5-methylimidazol-1-yl)propyl]indol-3-yl]pyrrole-2,5-dione
CID 177378624
3-[1-(4-aminobutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327933

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione (CID 10690680) is 3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione is COC1=C(c2cn(COCC[Si](C)(C)C)c3ccccc23)C(=O)NC1=O.
What is the InChIKey of 3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is AFEYSJUPLMKYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4Si/c1-24-17-16(18(22)20-19(17)23)14-11-21(12-25-9-10-26(2,3)4)15-8-6-5-7-13(14)15/h5-8,11H,9-10,12H2,1-4H3,(H,20,22,23).
What are the key properties of 3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione?
3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 372.50 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 10690680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).