2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one

C20H15N3O2 — CID 5327651

IUPAC2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one
SMILESO=C1NC(O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H15N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,19,21-22,24H,(H,23,25)
InChIKeyMTKKHFBXXUZIDC-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.01
Rot. Bonds2

About 2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one

2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one (PubChem CID 5327651) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one
PubChem CID5327651
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one
SMILESO=C1NC(O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C20H15N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,19,21-22,24H,(H,23,25)
InChIKeyMTKKHFBXXUZIDC-UHFFFAOYSA-N
XLogP3.01
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Acetic Acid
CID 802
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
2-(2-(1,1-Dimethyl-2-propen-1-yl)-1H-indol-3-yl)-3,6-dihydroxy-5-(7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl)-2,5-cyclohexadiene-1,4-dione
CID 3013166
Violacein
CID 11053
Arcyriarubin A
CID 2399
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327725
2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-di-1H-indol-3-yl-
CID 452720
Bisindolylmaleimide III
CID 2398
Chromopyrrolic acid
CID 11326613
2,5-Cyclohexadiene-1,4-dione, 2-(2-(1,1-dimethyl-2-propenyl)-1H-indol-3-yl)-3,6-dihydroxy-5-(1H-indol-3-yl)-
CID 452719
1H-Pyrrole-2,5-dione, 3-(1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-
CID 5327654
3-[1-(2-hydroxyethyl)-1H-indol-3-yl]-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327928

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one (CID 5327651) is 2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one is O=C1NC(O)C(c2c[nH]c3ccccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
The InChIKey is MTKKHFBXXUZIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19-17(13-9-21-15-7-3-1-5-11(13)15)18(20(25)23-19)14-10-22-16-8-4-2-6-12(14)16/h1-10,19,21-22,24H,(H,23,25).
What are the key properties of 2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one?
2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one has a molecular weight of 329.36 g/mol, XLogP of 3.01, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,4-bis(1H-indol-3-yl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 5327651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).