3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione

C16H15N3O2 — CID 3802080

IUPAC3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1NC(Cc2c[nH]c3ccccc23)C(=O)N2CCC=C12
InChIInChI=1S/C16H15N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-6,9,13,17H,3,7-8H2,(H,18,20)
InChIKeyJYJYVOYLKNSXKM-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.33
Rot. Bonds2

About 3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione

3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 3802080) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID3802080
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
SMILESO=C1NC(Cc2c[nH]c3ccccc23)C(=O)N2CCC=C12
InChIInChI=1S/C16H15N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-6,9,13,17H,3,7-8H2,(H,18,20)
InChIKeyJYJYVOYLKNSXKM-UHFFFAOYSA-N
XLogP1.33
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 607655
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
CID 92535449
(5R)-5-(1H-indol-3-ylmethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2114779
cyclopropane;5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 143030497
(3S,6S)-6-benzyl-3-(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 135023125
(3S)-3-(1H-indol-3-ylmethyl)-6-(2-piperidin-1-ylethyl)piperazine-2,5-dione
CID 167927830
(3R,6S)-1-benzyl-3-(1H-indol-3-ylmethyl)-6-methylpiperazine-2,5-dione
CID 57068910
(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 4614488
(5S)-3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 6598972
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 2470027

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione (CID 3802080) is 3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione is O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N2CCC=C12.
What is the InChIKey of 3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is JYJYVOYLKNSXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-6,9,13,17H,3,7-8H2,(H,18,20).
What are the key properties of 3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione?
3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 281.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethyl)-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 3802080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).