Methyl N-propylcyclopropanecarboximidate

C₈H₁₅NO — CID 142972596

About Methyl N-propylcyclopropanecarboximidate

Methyl N-propylcyclopropanecarboximidate (PubChem CID 142972596) has the molecular formula C₈H₁₅NO and a molecular weight of 141.21 g/mol. Its IUPAC name is methyl N-propylcyclopropanecarboximidate.

Molecular Properties

• Compound Name: Methyl N-propylcyclopropanecarboximidate
• PubChem CID: 142972596
• Molecular Formula: C₈H₁₅NO
• Molecular Weight: 141.21 g/mol
• Exact Mass: 141.12
• IUPAC Name: methyl N-propylcyclopropanecarboximidate
• SMILES: CCC/N=C(\OC)C1CC1
• InChI: InChI=1S/C8H15NO/c1-3-6-9-8(10-2)7-4-5-7/h7H,3-6H2,1-2H3/b9-8-
• InChIKey: MZZSYQNLEDTQCN-HJWRWDBZSA-N
• XLogP: 1.85
• TPSA: 21.59 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	141.21
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 Methyl N-propylcyclopropanecarboximidate?

The IUPAC name of Methyl N-propylcyclopropanecarboximidate (CID 142972596) is methyl N-propylcyclopropanecarboximidate.

What is the SMILES notation for Methyl N-propylcyclopropanecarboximidate?

The canonical SMILES for Methyl N-propylcyclopropanecarboximidate is CCC/N=C(\OC)C1CC1.

What is the InChIKey of Methyl N-propylcyclopropanecarboximidate?

The InChIKey is MZZSYQNLEDTQCN-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-6-9-8(10-2)7-4-5-7/h7H,3-6H2,1-2H3/b9-8-.

What are the key properties of Methyl N-propylcyclopropanecarboximidate?

Methyl N-propylcyclopropanecarboximidate has a molecular weight of 141.21 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl N-propylcyclopropanecarboximidate is sourced from PubChem (CID 142972596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142972596 — identifiers, structure, computed properties (public domain)

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