(Z)-3-pyridin-4-ylbut-2-en-1-amine

C₉H₁₂N₂ — CID 63970722

About (Z)-3-pyridin-4-ylbut-2-en-1-amine

(Z)-3-pyridin-4-ylbut-2-en-1-amine (PubChem CID 63970722) has the molecular formula C₉H₁₂N₂ and a molecular weight of 148.21 g/mol. Its IUPAC name is (Z)-3-pyridin-4-ylbut-2-en-1-amine.

Molecular Properties

• Compound Name: (Z)-3-pyridin-4-ylbut-2-en-1-amine
• PubChem CID: 63970722
• Molecular Formula: C₉H₁₂N₂
• Molecular Weight: 148.21 g/mol
• Exact Mass: 148.10
• IUPAC Name: (Z)-3-pyridin-4-ylbut-2-en-1-amine
• SMILES: C/C(=C/CN)c1ccncc1
• InChI: InChI=1S/C9H12N2/c1-8(2-5-10)9-3-6-11-7-4-9/h2-4,6-7H,5,10H2,1H3/b8-2-
• InChIKey: ASXCHHUCGFADGA-WAPJZHGLSA-N
• XLogP: 1.44
• TPSA: 38.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	148.21
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (Z)-3-pyridin-4-ylbut-2-en-1-amine?

The IUPAC name of (Z)-3-pyridin-4-ylbut-2-en-1-amine (CID 63970722) is (Z)-3-pyridin-4-ylbut-2-en-1-amine.

What is the SMILES notation for (Z)-3-pyridin-4-ylbut-2-en-1-amine?

The canonical SMILES for (Z)-3-pyridin-4-ylbut-2-en-1-amine is C/C(=C/CN)c1ccncc1.

What is the InChIKey of (Z)-3-pyridin-4-ylbut-2-en-1-amine?

The InChIKey is ASXCHHUCGFADGA-WAPJZHGLSA-N. The full InChI is InChI=1S/C9H12N2/c1-8(2-5-10)9-3-6-11-7-4-9/h2-4,6-7H,5,10H2,1H3/b8-2-.

What are the key properties of (Z)-3-pyridin-4-ylbut-2-en-1-amine?

(Z)-3-pyridin-4-ylbut-2-en-1-amine has a molecular weight of 148.21 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-pyridin-4-ylbut-2-en-1-amine is sourced from PubChem (CID 63970722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63970722 — identifiers, structure, computed properties (public domain)

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