(E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one

C₁₂H₉NO₂ — CID 11506646

About (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one

(E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one (PubChem CID 11506646) has the molecular formula C₁₂H₉NO₂ and a molecular weight of 199.21 g/mol. Its IUPAC name is (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one
• PubChem CID: 11506646
• Molecular Formula: C₁₂H₉NO₂
• Molecular Weight: 199.21 g/mol
• Exact Mass: 199.06
• IUPAC Name: (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one
• SMILES: O=C(/C=C/c1ccoc1)c1ccccn1
• InChI: InChI=1S/C12H9NO2/c14-12(11-3-1-2-7-13-11)5-4-10-6-8-15-9-10/h1-9H/b5-4+
• InChIKey: ZFRJFPQCEJIXOD-SNAWJCMRSA-N
• XLogP: 2.57
• TPSA: 43.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	199.21
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one?

The IUPAC name of (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one (CID 11506646) is (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one.

What is the SMILES notation for (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one?

The canonical SMILES for (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccoc1)c1ccccn1.

What is the InChIKey of (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one?

The InChIKey is ZFRJFPQCEJIXOD-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(11-3-1-2-7-13-11)5-4-10-6-8-15-9-10/h1-9H/b5-4+.

What are the key properties of (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one?

(E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one has a molecular weight of 199.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-3-(furan-3-yl)-1-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 11506646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11506646 — identifiers, structure, computed properties (public domain)

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