1-ethenyl-4-oxidopiperazine

C6H11N2O- — CID 87801359

IUPAC1-ethenyl-4-oxidopiperazine
SMILESC=CN1CCN([O-])CC1
InChIInChI=1S/C6H11N2O/c1-2-7-3-5-8(9)6-4-7/h2H,1,3-6H2/q-1
InChIKeyJXPGXBBMIGLSJS-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.25
Rot. Bonds1

About 1-ethenyl-4-oxidopiperazine

1-ethenyl-4-oxidopiperazine (PubChem CID 87801359) has the molecular formula C6H11N2O- and a molecular weight of 127.17 g/mol. Its IUPAC name is 1-ethenyl-4-oxidopiperazine.

Molecular Properties

Compound Name1-ethenyl-4-oxidopiperazine
PubChem CID87801359
Molecular FormulaC6H11N2O-
Molecular Weight127.17 g/mol
Exact Mass127.09
IUPAC Name1-ethenyl-4-oxidopiperazine
SMILESC=CN1CCN([O-])CC1
InChIInChI=1S/C6H11N2O/c1-2-7-3-5-8(9)6-4-7/h2H,1,3-6H2/q-1
InChIKeyJXPGXBBMIGLSJS-UHFFFAOYSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethenyl-4-oxidopiperazin-4-ium
CID 87801358
1-Oxido-4-aza-1-azoniabicyclo[2.2.2]oct-2-ene
CID 88386710
1-Ethenyl-4-(2-nitrosoethyl)piperazine
CID 118402798
1-Ethenyl-4-hydroxypiperazine
CID 130438768
1,4-Bis(ethenyl)-1-oxidopiperazin-1-ium
CID 175139184
1-Ethenyl-1-oxidopiperazin-1-ium
CID 188064
CID 53630612
CID 53630612

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-oxidopiperazine?
The IUPAC name of 1-ethenyl-4-oxidopiperazine (CID 87801359) is 1-ethenyl-4-oxidopiperazine.
What is the SMILES notation for 1-ethenyl-4-oxidopiperazine?
The canonical SMILES for 1-ethenyl-4-oxidopiperazine is C=CN1CCN([O-])CC1.
What is the InChIKey of 1-ethenyl-4-oxidopiperazine?
The InChIKey is JXPGXBBMIGLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2O/c1-2-7-3-5-8(9)6-4-7/h2H,1,3-6H2/q-1.
What are the key properties of 1-ethenyl-4-oxidopiperazine?
1-ethenyl-4-oxidopiperazine has a molecular weight of 127.17 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-oxidopiperazine is sourced from PubChem (CID 87801359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).