1-ethynylcyclopentene;piperazine

C11H18N2 — CID 145003559

IUPAC1-ethynylcyclopentene;piperazine
SMILESC#CC1=CCCC1.C1CNCCN1
InChIInChI=1S/C7H8.C4H10N2/c1-2-7-5-3-4-6-7;1-2-6-4-3-5-1/h1,5H,3-4,6H2;5-6H,1-4H2
InChIKeyHHWXHNKHMIQWDE-UHFFFAOYSA-N
MW178.28 g/mol
LogP0.91
Rot. Bonds

About 1-ethynylcyclopentene;piperazine

1-ethynylcyclopentene;piperazine (PubChem CID 145003559) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-ethynylcyclopentene;piperazine.

Molecular Properties

Compound Name1-ethynylcyclopentene;piperazine
PubChem CID145003559
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-ethynylcyclopentene;piperazine
SMILESC#CC1=CCCC1.C1CNCCN1
InChIInChI=1S/C7H8.C4H10N2/c1-2-7-5-3-4-6-7;1-2-6-4-3-5-1/h1,5H,3-4,6H2;5-6H,1-4H2
InChIKeyHHWXHNKHMIQWDE-UHFFFAOYSA-N
XLogP0.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethynylcyclopentene;piperazine?
The IUPAC name of 1-ethynylcyclopentene;piperazine (CID 145003559) is 1-ethynylcyclopentene;piperazine.
What is the SMILES notation for 1-ethynylcyclopentene;piperazine?
The canonical SMILES for 1-ethynylcyclopentene;piperazine is C#CC1=CCCC1.C1CNCCN1.
What is the InChIKey of 1-ethynylcyclopentene;piperazine?
The InChIKey is HHWXHNKHMIQWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C4H10N2/c1-2-7-5-3-4-6-7;1-2-6-4-3-5-1/h1,5H,3-4,6H2;5-6H,1-4H2.
What are the key properties of 1-ethynylcyclopentene;piperazine?
1-ethynylcyclopentene;piperazine has a molecular weight of 178.28 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynylcyclopentene;piperazine is sourced from PubChem (CID 145003559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).