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

C19H15NO2 — CID 5341678

IUPAC(E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one
SMILESCOc1ccc2ccccc2c1C(=O)/C=C/c1cccnc1
InChIInChI=1S/C19H15NO2/c1-22-18-11-9-15-6-2-3-7-16(15)19(18)17(21)10-8-14-5-4-12-20-13-14/h2-13H,1H3/b10-8+
InChIKeyJZTXJELHMMMZAG-CSKARUKUSA-N
MW289.33 g/mol
LogP4.14
Rot. Bonds4

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

(E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one (PubChem CID 5341678) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is (E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one
PubChem CID5341678
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name(E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one
SMILESCOc1ccc2ccccc2c1C(=O)/C=C/c1cccnc1
InChIInChI=1S/C19H15NO2/c1-22-18-11-9-15-6-2-3-7-16(15)19(18)17(21)10-8-14-5-4-12-20-13-14/h2-13H,1H3/b10-8+
InChIKeyJZTXJELHMMMZAG-CSKARUKUSA-N
XLogP4.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.14
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)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one (CID 5341678) is (E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one is COc1ccc2ccccc2c1C(=O)/C=C/c1cccnc1.
What is the InChIKey of (E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one?
The InChIKey is JZTXJELHMMMZAG-CSKARUKUSA-N. The full InChI is InChI=1S/C19H15NO2/c1-22-18-11-9-15-6-2-3-7-16(15)19(18)17(21)10-8-14-5-4-12-20-13-14/h2-13H,1H3/b10-8+.
What are the key properties of (E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one?
(E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one has a molecular weight of 289.33 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methoxynaphthalen-1-yl)-3-pyridin-3-ylprop-2-en-1-one is sourced from PubChem (CID 5341678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).