1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione

C15H21N3O3 — CID 5247243

IUPAC1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione
SMILESC=CCN1CC(=O)N(CC=C)CC(=O)N(CC=C)CC1=O
InChIInChI=1S/C15H21N3O3/c1-4-7-16-10-14(20)18(9-6-3)12-15(21)17(8-5-2)11-13(16)19/h4-6H,1-3,7-12H2
InChIKeyNRZJKSYNKUZUOO-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.04
Rot. Bonds6

About 1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione

1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione (PubChem CID 5247243) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione.

Molecular Properties

Compound Name1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione
PubChem CID5247243
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione
SMILESC=CCN1CC(=O)N(CC=C)CC(=O)N(CC=C)CC1=O
InChIInChI=1S/C15H21N3O3/c1-4-7-16-10-14(20)18(9-6-3)12-15(21)17(8-5-2)11-13(16)19/h4-6H,1-3,7-12H2
InChIKeyNRZJKSYNKUZUOO-UHFFFAOYSA-N
XLogP0.04
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N,N',N'-tetrakis(prop-2-enyl)oxamide
CID 3417533
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
1,2-Bis(2,5-dihydropyrrol-1-yl)ethane-1,2-dione
CID 10954385
2-(dimethylamino)-N,N-bis(prop-2-enyl)acetamide
CID 54844050
N',N'-bis(prop-2-enyl)oxamide
CID 19376114
2-[methyl(prop-2-enyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 21130096
1,4-Bis(prop-2-enyl)piperazine-2,3-dione
CID 67737380
1,4-Bis(prop-2-enyl)piperazin-2-one
CID 67895247
1,4-Diallylpiperazine-2,5-dione
CID 67938331
1H-1,4,7-Triazonine, octahydro-1,4,7-tris(1-oxo-2-propenyl)
CID 85968796
N,N-bis[(E)-but-2-enyl]-2-(dimethylamino)acetamide
CID 117649702
N,N-bis[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 117733545

Frequently Asked Questions

What is the IUPAC name of 1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione?
The IUPAC name of 1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione (CID 5247243) is 1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione.
What is the SMILES notation for 1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione?
The canonical SMILES for 1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione is C=CCN1CC(=O)N(CC=C)CC(=O)N(CC=C)CC1=O.
What is the InChIKey of 1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione?
The InChIKey is NRZJKSYNKUZUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-7-16-10-14(20)18(9-6-3)12-15(21)17(8-5-2)11-13(16)19/h4-6H,1-3,7-12H2.
What are the key properties of 1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione?
1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione has a molecular weight of 291.35 g/mol, XLogP of 0.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7-tris(prop-2-enyl)-1,4,7-triazonane-2,5,8-trione is sourced from PubChem (CID 5247243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).