(E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one

C15H13NO2 — CID 6258621

IUPAC(E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)c2cccnc2)c1
InChIInChI=1S/C15H13NO2/c1-18-14-6-2-4-12(10-14)7-8-15(17)13-5-3-9-16-11-13/h2-11H,1H3/b8-7+
InChIKeyNGWVEROYSKVAKD-BQYQJAHWSA-N
MW239.27 g/mol
LogP2.99
Rot. Bonds4

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

(E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 6258621) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
PubChem CID6258621
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
SMILESCOc1cccc(/C=C/C(=O)c2cccnc2)c1
InChIInChI=1S/C15H13NO2/c1-18-14-6-2-4-12(10-14)7-8-15(17)13-5-3-9-16-11-13/h2-11H,1H3/b8-7+
InChIKeyNGWVEROYSKVAKD-BQYQJAHWSA-N
XLogP2.99
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one (CID 6258621) is (E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one is COc1cccc(/C=C/C(=O)c2cccnc2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is NGWVEROYSKVAKD-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-14-6-2-4-12(10-14)7-8-15(17)13-5-3-9-16-11-13/h2-11H,1H3/b8-7+.
What are the key properties of (E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one?
(E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one has a molecular weight of 239.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 6258621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).