1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol

C19H16N2O2 — CID 123222575

IUPAC1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol
SMILESOc1cc(-c2ccc3cc[nH]c3c2)c(O)n1Cc1ccccc1
InChIInChI=1S/C19H16N2O2/c22-18-11-16(15-7-6-14-8-9-20-17(14)10-15)19(23)21(18)12-13-4-2-1-3-5-13/h1-11,20,22-23H,12H2
InChIKeyUJNOPPZQIJQXLD-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.10
Rot. Bonds3

About 1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol

1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol (PubChem CID 123222575) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol
PubChem CID123222575
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol
SMILESOc1cc(-c2ccc3cc[nH]c3c2)c(O)n1Cc1ccccc1
InChIInChI=1S/C19H16N2O2/c22-18-11-16(15-7-6-14-8-9-20-17(14)10-15)19(23)21(18)12-13-4-2-1-3-5-13/h1-11,20,22-23H,12H2
InChIKeyUJNOPPZQIJQXLD-UHFFFAOYSA-N
XLogP4.10
TPSA61.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol?
The IUPAC name of 1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol (CID 123222575) is 1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol.
What is the SMILES notation for 1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol?
The canonical SMILES for 1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol is Oc1cc(-c2ccc3cc[nH]c3c2)c(O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol?
The InChIKey is UJNOPPZQIJQXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18-11-16(15-7-6-14-8-9-20-17(14)10-15)19(23)21(18)12-13-4-2-1-3-5-13/h1-11,20,22-23H,12H2.
What are the key properties of 1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol?
1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol has a molecular weight of 304.35 g/mol, XLogP of 4.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(1H-indol-6-yl)pyrrole-2,5-diol is sourced from PubChem (CID 123222575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).