1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione

C12H12N4O2 — CID 134184113

IUPAC1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione
SMILESC=C/N=C1\C(=O)N(C=C)/C(=N/C=C)C(=O)N1C=C
InChIInChI=1S/C12H12N4O2/c1-5-13-9-11(17)16(8-4)10(14-6-2)12(18)15(9)7-3/h5-8H,1-4H2/b13-9+,14-10+
InChIKeyDBKSZMSXMFTSKH-UTLPMFLDSA-N
MW244.25 g/mol
LogP1.03
Rot. Bonds4

About 1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione

1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione (PubChem CID 134184113) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione
PubChem CID134184113
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione
SMILESC=C/N=C1\C(=O)N(C=C)/C(=N/C=C)C(=O)N1C=C
InChIInChI=1S/C12H12N4O2/c1-5-13-9-11(17)16(8-4)10(14-6-2)12(18)15(9)7-3/h5-8H,1-4H2/b13-9+,14-10+
InChIKeyDBKSZMSXMFTSKH-UTLPMFLDSA-N
XLogP1.03
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione?
The IUPAC name of 1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione (CID 134184113) is 1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione.
What is the SMILES notation for 1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione?
The canonical SMILES for 1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione is C=C/N=C1\C(=O)N(C=C)/C(=N/C=C)C(=O)N1C=C.
What is the InChIKey of 1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione?
The InChIKey is DBKSZMSXMFTSKH-UTLPMFLDSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-5-13-9-11(17)16(8-4)10(14-6-2)12(18)15(9)7-3/h5-8H,1-4H2/b13-9+,14-10+.
What are the key properties of 1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione?
1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione has a molecular weight of 244.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione is sourced from PubChem (CID 134184113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).