5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C18H19N3O3 — CID 138966562

IUPAC5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC=CC(CC1C(=O)N(C)C(=O)N(C)C1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O3/c1-4-11(14-10-19-15-8-6-5-7-12(14)15)9-13-16(22)20(2)18(24)21(3)17(13)23/h4-8,10-11,13,19H,1,9H2,2-3H3
InChIKeySSLFKINILWEWDI-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.49
Rot. Bonds4

About 5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 138966562) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID138966562
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC=CC(CC1C(=O)N(C)C(=O)N(C)C1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C18H19N3O3/c1-4-11(14-10-19-15-8-6-5-7-12(14)15)9-13-16(22)20(2)18(24)21(3)17(13)23/h4-8,10-11,13,19H,1,9H2,2-3H3
InChIKeySSLFKINILWEWDI-UHFFFAOYSA-N
XLogP2.49
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[1H-indol-3-yl(phenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 25098653
5-[hydroxy(1H-indol-3-yl)methyl]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 57377498
3-propan-2-yl-1H-indole
CID 12534824
1-(1H-indol-3-yl)prop-2-en-1-amine
CID 55294436
1-(1H-indol-3-yl)-2-methylbut-3-en-1-ol
CID 10631907
(1R)-1-(1H-indol-3-yl)prop-2-en-1-amine;hydrochloride
CID 171197962
(1S)-1-(1H-indol-3-yl)but-3-en-1-amine
CID 55270742
(2E)-2-[(2S)-2-(1H-indol-3-yl)-3-nitropropylidene]-1,3,3-trimethylindole
CID 2380791
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-(1H-indol-3-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
CID 4089115
3-[(1R)-1-thiophen-3-ylprop-2-enyl]-1H-indole
CID 134968815
5-(1H-indol-3-ylmethyl)-2,2,3-trimethylimidazolidin-4-one;hydrochloride
CID 74830761
3-[(1S)-1-piperazin-1-ylprop-2-enyl]-1H-indole;dihydrochloride
CID 171272371

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 138966562) is 5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is C=CC(CC1C(=O)N(C)C(=O)N(C)C1=O)c1c[nH]c2ccccc12.
What is the InChIKey of 5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is SSLFKINILWEWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-4-11(14-10-19-15-8-6-5-7-12(14)15)9-13-16(22)20(2)18(24)21(3)17(13)23/h4-8,10-11,13,19H,1,9H2,2-3H3.
What are the key properties of 5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 325.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-3-yl)but-3-enyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 138966562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).