(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine

C₈H₁₂N₂ — CID 142308881

About (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine

(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine (PubChem CID 142308881) has the molecular formula C₈H₁₂N₂ and a molecular weight of 136.20 g/mol. Its IUPAC name is (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine.

Molecular Properties

• Compound Name: (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine
• PubChem CID: 142308881
• Molecular Formula: C₈H₁₂N₂
• Molecular Weight: 136.20 g/mol
• Exact Mass: 136.10
• IUPAC Name: (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine
• SMILES: CC/C=C1/C=CN/C1=N\C
• InChI: InChI=1S/C8H12N2/c1-3-4-7-5-6-10-8(7)9-2/h4-6H,3H2,1-2H3,(H,9,10)/b7-4-
• InChIKey: CLMIZXCBZWMNRO-DAXSKMNVSA-N
• XLogP: 1.47
• TPSA: 24.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	136.20
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine?

The IUPAC name of (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine (CID 142308881) is (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine.

What is the SMILES notation for (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine?

The canonical SMILES for (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine is CC/C=C1/C=CN/C1=N\C.

What is the InChIKey of (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine?

The InChIKey is CLMIZXCBZWMNRO-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-4-7-5-6-10-8(7)9-2/h4-6H,3H2,1-2H3,(H,9,10)/b7-4-.

What are the key properties of (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine?

(3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine has a molecular weight of 136.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (3Z)-N-methyl-3-propylidene-1H-pyrrol-2-imine is sourced from PubChem (CID 142308881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142308881 — identifiers, structure, computed properties (public domain)

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