3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione

C24H21N3O4 — CID 70340325

IUPAC3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione
SMILESCOCc1ccc2c(C3=C(c4c[nH]c5cc(COC)ccc45)C(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C24H21N3O4/c1-30-11-13-3-5-15-17(9-25-19(15)7-13)21-22(24(29)27-23(21)28)18-10-26-20-8-14(12-31-2)4-6-16(18)20/h3-10,25-26H,11-12H2,1-2H3,(H,27,28,29)
InChIKeyAOKPEXGOTYOPGA-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.51
Rot. Bonds6

About 3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione

3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione (PubChem CID 70340325) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione
PubChem CID70340325
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione
SMILESCOCc1ccc2c(C3=C(c4c[nH]c5cc(COC)ccc45)C(=O)NC3=O)c[nH]c2c1
InChIInChI=1S/C24H21N3O4/c1-30-11-13-3-5-15-17(9-25-19(15)7-13)21-22(24(29)27-23(21)28)18-10-26-20-8-14(12-31-2)4-6-16(18)20/h3-10,25-26H,11-12H2,1-2H3,(H,27,28,29)
InChIKeyAOKPEXGOTYOPGA-UHFFFAOYSA-N
XLogP3.51
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione (CID 70340325) is 3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione is COCc1ccc2c(C3=C(c4c[nH]c5cc(COC)ccc45)C(=O)NC3=O)c[nH]c2c1.
What is the InChIKey of 3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione?
The InChIKey is AOKPEXGOTYOPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-11-13-3-5-15-17(9-25-19(15)7-13)21-22(24(29)27-23(21)28)18-10-26-20-8-14(12-31-2)4-6-16(18)20/h3-10,25-26H,11-12H2,1-2H3,(H,27,28,29).
What are the key properties of 3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione?
3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione has a molecular weight of 415.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 70340325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).