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

C₁₈H₁₃NO₂ — CID 122189985

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

(E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 122189985) has the molecular formula C₁₈H₁₃NO₂ and a molecular weight of 275.31 g/mol. Its IUPAC name is (E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

• Compound Name: (E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
• PubChem CID: 122189985
• Molecular Formula: C₁₈H₁₃NO₂
• Molecular Weight: 275.31 g/mol
• Exact Mass: 275.09
• IUPAC Name: (E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
• SMILES: O=C(/C=C/c1cccnc1)c1cc2ccccc2cc1O
• InChI: InChI=1S/C18H13NO2/c20-17(8-7-13-4-3-9-19-12-13)16-10-14-5-1-2-6-15(14)11-18(16)21/h1-12,21H/b8-7+
• InChIKey: HJXSBQXNDCCMQW-BQYQJAHWSA-N
• XLogP: 3.84
• TPSA: 50.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.31
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
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)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one?

The IUPAC name of (E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one (CID 122189985) is (E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one.

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

The canonical SMILES for (E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1cccnc1)c1cc2ccccc2cc1O.

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

The InChIKey is HJXSBQXNDCCMQW-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H13NO2/c20-17(8-7-13-4-3-9-19-12-13)16-10-14-5-1-2-6-15(14)11-18(16)21/h1-12,21H/b8-7+.

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

(E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 275.31 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(3-hydroxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 122189985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122189985 — identifiers, structure, computed properties (public domain)

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