(E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one

C13H9FN2O — CID 146001170

IUPAC(E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1cnccn1
InChIInChI=1S/C13H9FN2O/c14-11-4-1-10(2-5-11)3-6-13(17)12-9-15-7-8-16-12/h1-9H/b6-3+
InChIKeyYANVEYHBBAWXAM-ZZXKWVIFSA-N
MW228.23 g/mol
LogP2.51
Rot. Bonds3

About (E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one

(E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one (PubChem CID 146001170) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is (E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one
PubChem CID146001170
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name(E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccc(F)cc1)c1cnccn1
InChIInChI=1S/C13H9FN2O/c14-11-4-1-10(2-5-11)3-6-13(17)12-9-15-7-8-16-12/h1-9H/b6-3+
InChIKeyYANVEYHBBAWXAM-ZZXKWVIFSA-N
XLogP2.51
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.51
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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Related Compounds

(E)-3-(4-fluorophenyl)-1-pyridin-2-ylprop-2-en-1-one
CID 71307712
(E)-1-pyrazin-2-ylbut-2-en-1-one
CID 103453450
1-pyrazin-2-ylbut-2-en-1-one
CID 175484780
(Z)-3-(4-fluorophenyl)-N-[2-(pyrazin-2-ylamino)ethyl]prop-2-enamide
CID 94100089
methyl (E)-3-[1-methyl-5-[(E)-3-oxo-3-pyrazin-2-ylprop-1-enyl]pyrrol-2-yl]prop-2-enoate
CID 146347189
2-(4-fluorophenyl)sulfanyl-1-pyrazin-2-ylethanone
CID 66070961
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-pyrazin-2-ylprop-2-en-1-one
CID 6478848
pyrazine-2-carbothioic S-acid
CID 87249006
N'-[(E)-3-(4-cyanophenyl)prop-2-enoyl]pyrazine-2-carbohydrazide
CID 24618561
(E)-3-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 790889
[(E)-3-(4-fluorophenyl)prop-2-enoyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 11726774
3-(4-fluorophenyl)-1-(3-methoxyphenyl)prop-2-en-1-one
CID 2880774

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one (CID 146001170) is (E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one is O=C(/C=C/c1ccc(F)cc1)c1cnccn1.
What is the InChIKey of (E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one?
The InChIKey is YANVEYHBBAWXAM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-11-4-1-10(2-5-11)3-6-13(17)12-9-15-7-8-16-12/h1-9H/b6-3+.
What are the key properties of (E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one?
(E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one has a molecular weight of 228.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-fluorophenyl)-1-pyrazin-2-ylprop-2-en-1-one is sourced from PubChem (CID 146001170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).