1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione

C24H32N6O6 — CID 20511981

IUPAC1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESC/C=C/Cn1c(=O)n(C/C=C/C)c(=O)n(CCn2c(=O)n(C/C=C/C)c(=O)n(C/C=C/C)c2=O)c1=O
InChIInChI=1S/C24H32N6O6/c1-5-9-13-25-19(31)26(14-10-6-2)22(34)29(21(25)33)17-18-30-23(35)27(15-11-7-3)20(32)28(24(30)36)16-12-8-4/h5-12H,13-18H2,1-4H3/b9-5+,10-6+,11-7+,12-8+
InChIKeyIMPRWRJHTIXIRS-HFBXSBKTSA-N
MW500.56 g/mol
LogP-0.34
Rot. Bonds11

About 1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione

1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione (PubChem CID 20511981) has the molecular formula C24H32N6O6 and a molecular weight of 500.56 g/mol. Its IUPAC name is 1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione
PubChem CID20511981
Molecular FormulaC24H32N6O6
Molecular Weight500.56 g/mol
Exact Mass500.24
IUPAC Name1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione
SMILESC/C=C/Cn1c(=O)n(C/C=C/C)c(=O)n(CCn2c(=O)n(C/C=C/C)c(=O)n(C/C=C/C)c2=O)c1=O
InChIInChI=1S/C24H32N6O6/c1-5-9-13-25-19(31)26(14-10-6-2)22(34)29(21(25)33)17-18-30-23(35)27(15-11-7-3)20(32)28(24(30)36)16-12-8-4/h5-12H,13-18H2,1-4H3/b9-5+,10-6+,11-7+,12-8+
InChIKeyIMPRWRJHTIXIRS-HFBXSBKTSA-N
XLogP-0.34
TPSA132.00 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.56
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione (CID 20511981) is 1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione is C/C=C/Cn1c(=O)n(C/C=C/C)c(=O)n(CCn2c(=O)n(C/C=C/C)c(=O)n(C/C=C/C)c2=O)c1=O.
What is the InChIKey of 1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione?
The InChIKey is IMPRWRJHTIXIRS-HFBXSBKTSA-N. The full InChI is InChI=1S/C24H32N6O6/c1-5-9-13-25-19(31)26(14-10-6-2)22(34)29(21(25)33)17-18-30-23(35)27(15-11-7-3)20(32)28(24(30)36)16-12-8-4/h5-12H,13-18H2,1-4H3/b9-5+,10-6+,11-7+,12-8+.
What are the key properties of 1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione?
1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione has a molecular weight of 500.56 g/mol, XLogP of -0.34, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 20511981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).