(2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine

C₉H₁₆N₂ — CID 174972324

About (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine

(2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine (PubChem CID 174972324) has the molecular formula C₉H₁₆N₂ and a molecular weight of 152.24 g/mol. Its IUPAC name is (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine.

Molecular Properties

• Compound Name: (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine
• PubChem CID: 174972324
• Molecular Formula: C₉H₁₆N₂
• Molecular Weight: 152.24 g/mol
• Exact Mass: 152.13
• IUPAC Name: (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine
• SMILES: C[C@@H]1CNCCN1C1C=CC1
• InChI: InChI=1S/C9H16N2/c1-8-7-10-5-6-11(8)9-3-2-4-9/h2-3,8-10H,4-7H2,1H3/t8-,9?/m1/s1
• InChIKey: UVMVLMPIGYQDTA-VEDVMXKPSA-N
• XLogP: 0.61
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	152.24
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine?

The IUPAC name of (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine (CID 174972324) is (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine.

What is the SMILES notation for (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine?

The canonical SMILES for (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine is C[C@@H]1CNCCN1C1C=CC1.

What is the InChIKey of (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine?

The InChIKey is UVMVLMPIGYQDTA-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-7-10-5-6-11(8)9-3-2-4-9/h2-3,8-10H,4-7H2,1H3/t8-,9?/m1/s1.

What are the key properties of (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine?

(2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine has a molecular weight of 152.24 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine is sourced from PubChem (CID 174972324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174972324 — identifiers, structure, computed properties (public domain)

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