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

C12H9NO2 — CID 11571968

IUPAC(E)-3-(furan-3-yl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccoc1)c1cccnc1
InChIInChI=1S/C12H9NO2/c14-12(11-2-1-6-13-8-11)4-3-10-5-7-15-9-10/h1-9H/b4-3+
InChIKeyDYOQGKXTOLQYGE-ONEGZZNKSA-N
MW199.21 g/mol
LogP2.57
Rot. Bonds3

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

(E)-3-(furan-3-yl)-1-pyridin-3-ylprop-2-en-1-one (PubChem CID 11571968) 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-3-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-3-yl)-1-pyridin-3-ylprop-2-en-1-one
PubChem CID11571968
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name(E)-3-(furan-3-yl)-1-pyridin-3-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccoc1)c1cccnc1
InChIInChI=1S/C12H9NO2/c14-12(11-2-1-6-13-8-11)4-3-10-5-7-15-9-10/h1-9H/b4-3+
InChIKeyDYOQGKXTOLQYGE-ONEGZZNKSA-N
XLogP2.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.57
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-(furan-3-yl)-1-pyridin-3-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(furan-3-yl)-1-pyridin-3-ylprop-2-en-1-one (CID 11571968) is (E)-3-(furan-3-yl)-1-pyridin-3-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-3-yl)-1-pyridin-3-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-3-yl)-1-pyridin-3-ylprop-2-en-1-one is O=C(/C=C/c1ccoc1)c1cccnc1.
What is the InChIKey of (E)-3-(furan-3-yl)-1-pyridin-3-ylprop-2-en-1-one?
The InChIKey is DYOQGKXTOLQYGE-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(11-2-1-6-13-8-11)4-3-10-5-7-15-9-10/h1-9H/b4-3+.
What are the key properties of (E)-3-(furan-3-yl)-1-pyridin-3-ylprop-2-en-1-one?
(E)-3-(furan-3-yl)-1-pyridin-3-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-3-ylprop-2-en-1-one is sourced from PubChem (CID 11571968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).