3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione

C20H13N3O3 — CID 5327725

IUPAC3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3cc(O)ccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H13N3O3/c24-10-5-6-12-14(9-22-16(12)7-10)18-17(19(25)23-20(18)26)13-8-21-15-4-2-1-3-11(13)15/h1-9,21-22,24H,(H,23,25,26)
InChIKeyFPFDAPLHFVEXKC-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.92
Rot. Bonds2

About 3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 5327725) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID5327725
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2c[nH]c3cc(O)ccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H13N3O3/c24-10-5-6-12-14(9-22-16(12)7-10)18-17(19(25)23-20(18)26)13-8-21-15-4-2-1-3-11(13)15/h1-9,21-22,24H,(H,23,25,26)
InChIKeyFPFDAPLHFVEXKC-UHFFFAOYSA-N
XLogP2.92
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-aminoethyl)-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410386
3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410250
3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650558
3-[1-[3-(diethylamino)propyl]-6-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410556
3-[5-hydroxy-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410190
3-(6-bromo-1-benzofuran-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 165437352
3-hydroxy-4-(6-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 54708548
3,4-bis[6-(methoxymethyl)-1H-indol-3-yl]pyrrole-2,5-dione
CID 70340325
3-(1,4-benzodioxin-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 134998083
3-[6-fluoro-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410487
3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409658
3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410468

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 5327725) is 3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2c[nH]c3cc(O)ccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is FPFDAPLHFVEXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c24-10-5-6-12-14(9-22-16(12)7-10)18-17(19(25)23-20(18)26)13-8-21-15-4-2-1-3-11(13)15/h1-9,21-22,24H,(H,23,25,26).
What are the key properties of 3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 343.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).