3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

C19H23N3O2 — CID 551077

IUPAC3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)CC1(c2c[nH]c3ccccc23)NC(=O)C2CCCN2C1=O
InChIInChI=1S/C19H23N3O2/c1-12(2)10-19(14-11-20-15-7-4-3-6-13(14)15)18(24)22-9-5-8-16(22)17(23)21-19/h3-4,6-7,11-12,16,20H,5,8-10H2,1-2H3,(H,21,23)
InChIKeyRRMRGWXKBPZEDX-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.53
Rot. Bonds3

About 3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione

3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione (PubChem CID 551077) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
PubChem CID551077
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione
SMILESCC(C)CC1(c2c[nH]c3ccccc23)NC(=O)C2CCCN2C1=O
InChIInChI=1S/C19H23N3O2/c1-12(2)10-19(14-11-20-15-7-4-3-6-13(14)15)18(24)22-9-5-8-16(22)17(23)21-19/h3-4,6-7,11-12,16,20H,5,8-10H2,1-2H3,(H,21,23)
InChIKeyRRMRGWXKBPZEDX-UHFFFAOYSA-N
XLogP2.53
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,12-di(butan-2-yl)-27-(1H-indol-3-ylmethyl)-15-(2-methylpropyl)-24-propan-2-yl-1,4,10,13,16,22,25,28-octazatetracyclo[28.3.0.06,10.018,22]tritriacontane-2,5,11,14,17,23,26,29-octone
CID 75149070
3-ethyl-3-(1H-indol-3-yl)-2H-isoindol-1-one
CID 53348525
1-(1H-indol-3-yl)pyrrolidine-2-carbaldehyde
CID 174747478
(3S,8aS)-3-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 131896652
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
(3S,6S,12S,15S,21S,24S,27S,30S)-3-benzyl-27-[(1S)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-24-(2-methylpropyl)-21-propan-2-yl-1,4,10,13,19,22,25,28-octazatetracyclo[28.3.0.06,10.015,19]tritriacontane-2,5,11,14,20,23,26,29-octone
CID 24939434
(3R,6S,12R,15S,21S,24S,27S,30S)-3-benzyl-24-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-27-(2-methylpropyl)-21-propan-2-yl-1,4,10,13,19,22,25,28-octazatetracyclo[28.3.0.06,10.015,19]tritriacontane-2,5,11,14,20,23,26,29-octone
CID 163053118
tert-butyl 2-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-12-methyl-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]acetate
CID 10794174
9-benzyl-6-(1H-indol-3-ylmethyl)-3-[(4-methoxyphenyl)methyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
CID 75051676
N-[[1-(1H-indol-3-ylmethyl)piperidin-3-yl]methyl]propan-2-amine
CID 63240913
5-[(3R,6R,9S,12R,15S)-6-(1H-indol-3-ylmethyl)-9-(2-methylpropyl)-2,5,8,11,14-pentaoxo-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecan-3-yl]pentanoic acid
CID 10746849
(3S,6S,9S,12R,15S,18S)-3,9-dibenzyl-6-[(1R)-1-hydroxyethyl]-12-(1H-indol-3-ylmethyl)-15-(naphthalen-1-ylmethyl)-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
CID 10748217

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione (CID 551077) is 3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is CC(C)CC1(c2c[nH]c3ccccc23)NC(=O)C2CCCN2C1=O.
What is the InChIKey of 3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
The InChIKey is RRMRGWXKBPZEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12(2)10-19(14-11-20-15-7-4-3-6-13(14)15)18(24)22-9-5-8-16(22)17(23)21-19/h3-4,6-7,11-12,16,20H,5,8-10H2,1-2H3,(H,21,23).
What are the key properties of 3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione?
3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione has a molecular weight of 325.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-3-(2-methylpropyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 551077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).