methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate

C15H13NO2 — CID 5376942

IUPACmethyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
SMILESCOC(=O)/C(=C/c1cccnc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-18-15(17)14(13-7-3-2-4-8-13)10-12-6-5-9-16-11-12/h2-11H,1H3/b14-10+
InChIKeyGGQLUPYBRDMHPC-GXDHUFHOSA-N
MW239.27 g/mol
LogP2.80
Rot. Bonds3

About methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate

methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate (PubChem CID 5376942) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
PubChem CID5376942
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Namemethyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate
SMILESCOC(=O)/C(=C/c1cccnc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-18-15(17)14(13-7-3-2-4-8-13)10-12-6-5-9-16-11-12/h2-11H,1H3/b14-10+
InChIKeyGGQLUPYBRDMHPC-GXDHUFHOSA-N
XLogP2.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.80
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

(NZ)-N-[(E)-3-phenyl-4-pyridin-3-ylbut-3-en-2-ylidene]hydroxylamine
CID 101384779
(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
CID 102492010
methyl (E)-3-(4-bromophenyl)-2-phenylprop-2-enoate
CID 102281008
methyl (E)-3-(3-chlorophenyl)-2-phenylprop-2-enoate
CID 25192532
3-pyridin-3-yl-2-pyrimidin-5-ylprop-2-enoic acid
CID 129285754
(Z)-3-(4-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 749217
3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
CID 122218067
(E)-2-(4-methylsulfonylphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 21094111
(E)-1-phenyl-3-pyridin-3-ylprop-2-en-1-one
CID 5354062
(Z)-2-(4-methoxy-3-methylphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 83956228
3-[(Z)-2-fluoro-2-phenylethenyl]pyridine
CID 141385895
methyl (E)-3-fluoro-2-phenylprop-2-enoate
CID 10607451

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate?
The IUPAC name of methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate (CID 5376942) is methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate.
What is the SMILES notation for methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate?
The canonical SMILES for methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate is COC(=O)/C(=C/c1cccnc1)c1ccccc1.
What is the InChIKey of methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate?
The InChIKey is GGQLUPYBRDMHPC-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-15(17)14(13-7-3-2-4-8-13)10-12-6-5-9-16-11-12/h2-11H,1H3/b14-10+.
What are the key properties of methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate?
methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate has a molecular weight of 239.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-phenyl-3-pyridin-3-ylprop-2-enoate is sourced from PubChem (CID 5376942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).