[5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate

C15H13NO2 — CID 70279911

IUPAC[5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate
SMILESC=CC(=O)Oc1cncc(-c2ccccc2C)c1
InChIInChI=1S/C15H13NO2/c1-3-15(17)18-13-8-12(9-16-10-13)14-7-5-4-6-11(14)2/h3-10H,1H2,2H3
InChIKeyVBGTYHNVGRBMRF-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.15
Rot. Bonds3

About [5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate

[5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate (PubChem CID 70279911) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is [5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate.

Molecular Properties

Compound Name[5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate
PubChem CID70279911
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name[5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate
SMILESC=CC(=O)Oc1cncc(-c2ccccc2C)c1
InChIInChI=1S/C15H13NO2/c1-3-15(17)18-13-8-12(9-16-10-13)14-7-5-4-6-11(14)2/h3-10H,1H2,2H3
InChIKeyVBGTYHNVGRBMRF-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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 [5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate?
The IUPAC name of [5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate (CID 70279911) is [5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate.
What is the SMILES notation for [5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate?
The canonical SMILES for [5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate is C=CC(=O)Oc1cncc(-c2ccccc2C)c1.
What is the InChIKey of [5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate?
The InChIKey is VBGTYHNVGRBMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-3-15(17)18-13-8-12(9-16-10-13)14-7-5-4-6-11(14)2/h3-10H,1H2,2H3.
What are the key properties of [5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate?
[5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate has a molecular weight of 239.27 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylphenyl)-3-pyridinyl] prop-2-enoate is sourced from PubChem (CID 70279911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).