N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine

C₉H₁₄N₂ — CID 170585730

About N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine

N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine (PubChem CID 170585730) has the molecular formula C₉H₁₄N₂ and a molecular weight of 150.22 g/mol. Its IUPAC name is N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine.

Molecular Properties

• Compound Name: N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine
• PubChem CID: 170585730
• Molecular Formula: C₉H₁₄N₂
• Molecular Weight: 150.22 g/mol
• Exact Mass: 150.12
• IUPAC Name: N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine
• SMILES: C=NC1=C(C(=C)C)CCN1C
• InChI: InChI=1S/C9H14N2/c1-7(2)8-5-6-11(4)9(8)10-3/h1,3,5-6H2,2,4H3
• InChIKey: OXAZQKKWRFOTNL-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	150.22
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine?

The IUPAC name of N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine (CID 170585730) is N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine.

What is the SMILES notation for N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine?

The canonical SMILES for N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine is C=NC1=C(C(=C)C)CCN1C.

What is the InChIKey of N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine?

The InChIKey is OXAZQKKWRFOTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)8-5-6-11(4)9(8)10-3/h1,3,5-6H2,2,4H3.

What are the key properties of N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine?

N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine has a molecular weight of 150.22 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-methyl-4-prop-1-en-2-yl-2,3-dihydropyrrol-5-yl)methanimine is sourced from PubChem (CID 170585730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170585730 — identifiers, structure, computed properties (public domain)

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