1-cyclopent-3-en-1-ylpiperazin-2-one

C9H14N2O — CID 67085144

IUPAC1-cyclopent-3-en-1-ylpiperazin-2-one
SMILESO=C1CNCCN1C1CC=CC1
InChIInChI=1S/C9H14N2O/c12-9-7-10-5-6-11(9)8-3-1-2-4-8/h1-2,8,10H,3-7H2
InChIKeyQGXKALHTNZXTAH-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.14
Rot. Bonds1

About 1-cyclopent-3-en-1-ylpiperazin-2-one

1-cyclopent-3-en-1-ylpiperazin-2-one (PubChem CID 67085144) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-ylpiperazin-2-one.

Molecular Properties

Compound Name1-cyclopent-3-en-1-ylpiperazin-2-one
PubChem CID67085144
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-cyclopent-3-en-1-ylpiperazin-2-one
SMILESO=C1CNCCN1C1CC=CC1
InChIInChI=1S/C9H14N2O/c12-9-7-10-5-6-11(9)8-3-1-2-4-8/h1-2,8,10H,3-7H2
InChIKeyQGXKALHTNZXTAH-UHFFFAOYSA-N
XLogP0.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-ylpiperazin-2-one?
The IUPAC name of 1-cyclopent-3-en-1-ylpiperazin-2-one (CID 67085144) is 1-cyclopent-3-en-1-ylpiperazin-2-one.
What is the SMILES notation for 1-cyclopent-3-en-1-ylpiperazin-2-one?
The canonical SMILES for 1-cyclopent-3-en-1-ylpiperazin-2-one is O=C1CNCCN1C1CC=CC1.
What is the InChIKey of 1-cyclopent-3-en-1-ylpiperazin-2-one?
The InChIKey is QGXKALHTNZXTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c12-9-7-10-5-6-11(9)8-3-1-2-4-8/h1-2,8,10H,3-7H2.
What are the key properties of 1-cyclopent-3-en-1-ylpiperazin-2-one?
1-cyclopent-3-en-1-ylpiperazin-2-one has a molecular weight of 166.22 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-ylpiperazin-2-one is sourced from PubChem (CID 67085144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).