2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one

C15H15FN2O3 — CID 101125640

IUPAC2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one
SMILESCOc1cc(=O)n(C/C=C/c2ccc(F)cc2)nc1OC
InChIInChI=1S/C15H15FN2O3/c1-20-13-10-14(19)18(17-15(13)21-2)9-3-4-11-5-7-12(16)8-6-11/h3-8,10H,9H2,1-2H3/b4-3+
InChIKeyBBDAZKQPSSQEEE-ONEGZZNKSA-N
MW290.29 g/mol
LogP2.11
Rot. Bonds5

About 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one

2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one (PubChem CID 101125640) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one.

Molecular Properties

Compound Name2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one
PubChem CID101125640
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one
SMILESCOc1cc(=O)n(C/C=C/c2ccc(F)cc2)nc1OC
InChIInChI=1S/C15H15FN2O3/c1-20-13-10-14(19)18(17-15(13)21-2)9-3-4-11-5-7-12(16)8-6-11/h3-8,10H,9H2,1-2H3/b4-3+
InChIKeyBBDAZKQPSSQEEE-ONEGZZNKSA-N
XLogP2.11
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one?
The IUPAC name of 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one (CID 101125640) is 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one.
What is the SMILES notation for 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one?
The canonical SMILES for 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one is COc1cc(=O)n(C/C=C/c2ccc(F)cc2)nc1OC.
What is the InChIKey of 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one?
The InChIKey is BBDAZKQPSSQEEE-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-20-13-10-14(19)18(17-15(13)21-2)9-3-4-11-5-7-12(16)8-6-11/h3-8,10H,9H2,1-2H3/b4-3+.
What are the key properties of 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one?
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one has a molecular weight of 290.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-(4-fluorophenyl)prop-2-enyl]-5,6-dimethoxypyridazin-3-one is sourced from PubChem (CID 101125640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).