1,4-bis(ethenyl)-1-oxidopiperazin-1-ium

C8H14N2O — CID 175139184

IUPAC1,4-bis(ethenyl)-1-oxidopiperazin-1-ium
SMILESC=CN1CC[N+]([O-])(C=C)CC1
InChIInChI=1S/C8H14N2O/c1-3-9-5-7-10(11,4-2)8-6-9/h3-4H,1-2,5-8H2
InChIKeyWTWFFBRQMSZNPV-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.90
Rot. Bonds2

About 1,4-bis(ethenyl)-1-oxidopiperazin-1-ium

1,4-bis(ethenyl)-1-oxidopiperazin-1-ium (PubChem CID 175139184) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1,4-bis(ethenyl)-1-oxidopiperazin-1-ium.

Molecular Properties

Compound Name1,4-bis(ethenyl)-1-oxidopiperazin-1-ium
PubChem CID175139184
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1,4-bis(ethenyl)-1-oxidopiperazin-1-ium
SMILESC=CN1CC[N+]([O-])(C=C)CC1
InChIInChI=1S/C8H14N2O/c1-3-9-5-7-10(11,4-2)8-6-9/h3-4H,1-2,5-8H2
InChIKeyWTWFFBRQMSZNPV-UHFFFAOYSA-N
XLogP0.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)-1-oxidopiperazin-1-ium?
The IUPAC name of 1,4-bis(ethenyl)-1-oxidopiperazin-1-ium (CID 175139184) is 1,4-bis(ethenyl)-1-oxidopiperazin-1-ium.
What is the SMILES notation for 1,4-bis(ethenyl)-1-oxidopiperazin-1-ium?
The canonical SMILES for 1,4-bis(ethenyl)-1-oxidopiperazin-1-ium is C=CN1CC[N+]([O-])(C=C)CC1.
What is the InChIKey of 1,4-bis(ethenyl)-1-oxidopiperazin-1-ium?
The InChIKey is WTWFFBRQMSZNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-9-5-7-10(11,4-2)8-6-9/h3-4H,1-2,5-8H2.
What are the key properties of 1,4-bis(ethenyl)-1-oxidopiperazin-1-ium?
1,4-bis(ethenyl)-1-oxidopiperazin-1-ium has a molecular weight of 154.21 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenyl)-1-oxidopiperazin-1-ium is sourced from PubChem (CID 175139184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).