2-piperazin-1-ylethenone

C6H10N2O — CID 18974499

IUPAC2-piperazin-1-ylethenone
SMILESO=C=CN1CCNCC1
InChIInChI=1S/C6H10N2O/c9-6-5-8-3-1-7-2-4-8/h5,7H,1-4H2
InChIKeyUFUZVZYWGXQVOZ-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.76
Rot. Bonds1

About 2-piperazin-1-ylethenone

2-piperazin-1-ylethenone (PubChem CID 18974499) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-piperazin-1-ylethenone.

Molecular Properties

Compound Name2-piperazin-1-ylethenone
PubChem CID18974499
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-piperazin-1-ylethenone
SMILESO=C=CN1CCNCC1
InChIInChI=1S/C6H10N2O/c9-6-5-8-3-1-7-2-4-8/h5,7H,1-4H2
InChIKeyUFUZVZYWGXQVOZ-UHFFFAOYSA-N
XLogP-0.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylethenone?
The IUPAC name of 2-piperazin-1-ylethenone (CID 18974499) is 2-piperazin-1-ylethenone.
What is the SMILES notation for 2-piperazin-1-ylethenone?
The canonical SMILES for 2-piperazin-1-ylethenone is O=C=CN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylethenone?
The InChIKey is UFUZVZYWGXQVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c9-6-5-8-3-1-7-2-4-8/h5,7H,1-4H2.
What are the key properties of 2-piperazin-1-ylethenone?
2-piperazin-1-ylethenone has a molecular weight of 126.16 g/mol, XLogP of -0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylethenone is sourced from PubChem (CID 18974499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).