3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C23H19N3O3 — CID 5327928

IUPAC3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(CCO)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H19N3O3/c1-25-12-16(14-6-2-4-8-18(14)25)20-21(23(29)24-22(20)28)17-13-26(10-11-27)19-9-5-3-7-15(17)19/h2-9,12-13,27H,10-11H2,1H3,(H,24,28,29)
InChIKeySCANCBOXHLJFBT-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.69
Rot. Bonds4

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

3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327928) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327928
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(CCO)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H19N3O3/c1-25-12-16(14-6-2-4-8-18(14)25)20-21(23(29)24-22(20)28)17-13-26(10-11-27)19-9-5-3-7-15(17)19/h2-9,12-13,27H,10-11H2,1H3,(H,24,28,29)
InChIKeySCANCBOXHLJFBT-UHFFFAOYSA-N
XLogP2.69
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327928) is 3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(CCO)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is SCANCBOXHLJFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-25-12-16(14-6-2-4-8-18(14)25)20-21(23(29)24-22(20)28)17-13-26(10-11-27)19-9-5-3-7-15(17)19/h2-9,12-13,27H,10-11H2,1H3,(H,24,28,29).
What are the key properties of 3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 385.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-hydroxyethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).