1-ethenyl-4-oxidopiperazin-4-ium

C6H12N2O — CID 87801358

IUPAC1-ethenyl-4-oxidopiperazin-4-ium
SMILESC=CN1CC[NH+]([O-])CC1
InChIInChI=1S/C6H12N2O/c1-2-7-3-5-8(9)6-4-7/h2,8H,1,3-6H2
InChIKeyNUXMFABARFIRIU-UHFFFAOYSA-N
MW128.17 g/mol
LogP-1.17
Rot. Bonds1

About 1-ethenyl-4-oxidopiperazin-4-ium

1-ethenyl-4-oxidopiperazin-4-ium (PubChem CID 87801358) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-ethenyl-4-oxidopiperazin-4-ium.

Molecular Properties

Compound Name1-ethenyl-4-oxidopiperazin-4-ium
PubChem CID87801358
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-ethenyl-4-oxidopiperazin-4-ium
SMILESC=CN1CC[NH+]([O-])CC1
InChIInChI=1S/C6H12N2O/c1-2-7-3-5-8(9)6-4-7/h2,8H,1,3-6H2
InChIKeyNUXMFABARFIRIU-UHFFFAOYSA-N
XLogP-1.17
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-oxidopiperazin-4-ium?
The IUPAC name of 1-ethenyl-4-oxidopiperazin-4-ium (CID 87801358) is 1-ethenyl-4-oxidopiperazin-4-ium.
What is the SMILES notation for 1-ethenyl-4-oxidopiperazin-4-ium?
The canonical SMILES for 1-ethenyl-4-oxidopiperazin-4-ium is C=CN1CC[NH+]([O-])CC1.
What is the InChIKey of 1-ethenyl-4-oxidopiperazin-4-ium?
The InChIKey is NUXMFABARFIRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-7-3-5-8(9)6-4-7/h2,8H,1,3-6H2.
What are the key properties of 1-ethenyl-4-oxidopiperazin-4-ium?
1-ethenyl-4-oxidopiperazin-4-ium has a molecular weight of 128.17 g/mol, XLogP of -1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-oxidopiperazin-4-ium is sourced from PubChem (CID 87801358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).