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

C20H13N3O3 — CID 135460761

IUPAC3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
SMILESO=[13C]1N=c2ccccc2=[13C]1c1cc(-[13c]2[13cH][nH]c3ccc(O)cc32)[nH]c1O
InChIInChI=1S/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,23-25H/i9+1,14+1,18+1,20+1
InChIKeySHLJIZCPRXXHHZ-CIMBIPCJSA-N
MW347.31 g/mol
LogP1.93
Rot. Bonds2

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

3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one (PubChem CID 135460761) has the molecular formula C20H13N3O3 and a molecular weight of 347.31 g/mol. Its IUPAC name is 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
PubChem CID135460761
Molecular FormulaC20H13N3O3
Molecular Weight347.31 g/mol
Exact Mass347.11
IUPAC Name3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
SMILESO=[13C]1N=c2ccccc2=[13C]1c1cc(-[13c]2[13cH][nH]c3ccc(O)cc32)[nH]c1O
InChIInChI=1S/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,23-25H/i9+1,14+1,18+1,20+1
InChIKeySHLJIZCPRXXHHZ-CIMBIPCJSA-N
XLogP1.93
TPSA101.47 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 51.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one?
The IUPAC name of 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one (CID 135460761) is 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one.
What is the SMILES notation for 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one?
The canonical SMILES for 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one is O=[13C]1N=c2ccccc2=[13C]1c1cc(-[13c]2[13cH][nH]c3ccc(O)cc32)[nH]c1O.
What is the InChIKey of 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one?
The InChIKey is SHLJIZCPRXXHHZ-CIMBIPCJSA-N. The full InChI is InChI=1S/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,23-25H/i9+1,14+1,18+1,20+1.
What are the key properties of 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one?
3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one has a molecular weight of 347.31 g/mol, XLogP of 1.93, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one is sourced from PubChem (CID 135460761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).