5-ethylcyclopenta-1,3-diene-1-carboximidamide

C₈H₁₂N₂ — CID 122461125

About 5-ethylcyclopenta-1,3-diene-1-carboximidamide

5-ethylcyclopenta-1,3-diene-1-carboximidamide (PubChem CID 122461125) has the molecular formula C₈H₁₂N₂ and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-ethylcyclopenta-1,3-diene-1-carboximidamide.

Molecular Properties

• Compound Name: 5-ethylcyclopenta-1,3-diene-1-carboximidamide
• PubChem CID: 122461125
• Molecular Formula: C₈H₁₂N₂
• Molecular Weight: 136.20 g/mol
• Exact Mass: 136.10
• IUPAC Name: 5-ethylcyclopenta-1,3-diene-1-carboximidamide
• SMILES: [H]/N=C(\N)C1=CC=CC1CC
• InChI: InChI=1S/C8H12N2/c1-2-6-4-3-5-7(6)8(9)10/h3-6H,2H2,1H3,(H3,9,10)
• InChIKey: HEJVFRJHXVIPOM-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 49.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	136.20
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-ethylcyclopenta-1,3-diene-1-carboximidamide?

The IUPAC name of 5-ethylcyclopenta-1,3-diene-1-carboximidamide (CID 122461125) is 5-ethylcyclopenta-1,3-diene-1-carboximidamide.

What is the SMILES notation for 5-ethylcyclopenta-1,3-diene-1-carboximidamide?

The canonical SMILES for 5-ethylcyclopenta-1,3-diene-1-carboximidamide is [H]/N=C(\N)C1=CC=CC1CC.

What is the InChIKey of 5-ethylcyclopenta-1,3-diene-1-carboximidamide?

The InChIKey is HEJVFRJHXVIPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-6-4-3-5-7(6)8(9)10/h3-6H,2H2,1H3,(H3,9,10).

What are the key properties of 5-ethylcyclopenta-1,3-diene-1-carboximidamide?

5-ethylcyclopenta-1,3-diene-1-carboximidamide has a molecular weight of 136.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethylcyclopenta-1,3-diene-1-carboximidamide is sourced from PubChem (CID 122461125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122461125 — identifiers, structure, computed properties (public domain)

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