5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one

C20H13N3O2 — CID 135428133

IUPAC5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one
SMILESO=C1N=C(c2c[nH]c3ccc(O)cc23)C=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H13N3O2/c24-11-5-6-18-13(7-11)16(10-22-18)19-8-14(20(25)23-19)15-9-21-17-4-2-1-3-12(15)17/h1-10,21-22,24H
InChIKeyAEUPUFUMWGIQGG-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.77
Rot. Bonds2

About 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one

5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one (PubChem CID 135428133) has the molecular formula C20H13N3O2 and a molecular weight of 327.34 g/mol. Its IUPAC name is 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one.

Molecular Properties

Compound Name5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one
PubChem CID135428133
Molecular FormulaC20H13N3O2
Molecular Weight327.34 g/mol
Exact Mass327.10
IUPAC Name5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one
SMILESO=C1N=C(c2c[nH]c3ccc(O)cc23)C=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H13N3O2/c24-11-5-6-18-13(7-11)16(10-22-18)19-8-14(20(25)23-19)15-9-21-17-4-2-1-3-12(15)17/h1-10,21-22,24H
InChIKeyAEUPUFUMWGIQGG-UHFFFAOYSA-N
XLogP3.77
TPSA81.24 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one?
The IUPAC name of 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one (CID 135428133) is 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one.
What is the SMILES notation for 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one?
The canonical SMILES for 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one is O=C1N=C(c2c[nH]c3ccc(O)cc23)C=C1c1c[nH]c2ccccc12.
What is the InChIKey of 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one?
The InChIKey is AEUPUFUMWGIQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O2/c24-11-5-6-18-13(7-11)16(10-22-18)19-8-14(20(25)23-19)15-9-21-17-4-2-1-3-12(15)17/h1-10,21-22,24H.
What are the key properties of 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one?
5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one has a molecular weight of 327.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)pyrrol-2-one is sourced from PubChem (CID 135428133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).