4-ethenylpiperazin-2-one

C6H10N2O — CID 59437141

IUPAC4-ethenylpiperazin-2-one
SMILESC=CN1CCNC(=O)C1
InChIInChI=1S/C6H10N2O/c1-2-8-4-3-7-6(9)5-8/h2H,1,3-5H2,(H,7,9)
InChIKeyHMCDBRNCLUIAQY-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.44
Rot. Bonds1

About 4-ethenylpiperazin-2-one

4-ethenylpiperazin-2-one (PubChem CID 59437141) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-ethenylpiperazin-2-one.

Molecular Properties

Compound Name4-ethenylpiperazin-2-one
PubChem CID59437141
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-ethenylpiperazin-2-one
SMILESC=CN1CCNC(=O)C1
InChIInChI=1S/C6H10N2O/c1-2-8-4-3-7-6(9)5-8/h2H,1,3-5H2,(H,7,9)
InChIKeyHMCDBRNCLUIAQY-UHFFFAOYSA-N
XLogP-0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylpiperazin-2-one?
The IUPAC name of 4-ethenylpiperazin-2-one (CID 59437141) is 4-ethenylpiperazin-2-one.
What is the SMILES notation for 4-ethenylpiperazin-2-one?
The canonical SMILES for 4-ethenylpiperazin-2-one is C=CN1CCNC(=O)C1.
What is the InChIKey of 4-ethenylpiperazin-2-one?
The InChIKey is HMCDBRNCLUIAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-2-8-4-3-7-6(9)5-8/h2H,1,3-5H2,(H,7,9).
What are the key properties of 4-ethenylpiperazin-2-one?
4-ethenylpiperazin-2-one has a molecular weight of 126.16 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylpiperazin-2-one is sourced from PubChem (CID 59437141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).