pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate

C15H13NO3 — CID 4990417

IUPACpyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1C=CC(=O)Oc1cccnc1
InChIInChI=1S/C15H13NO3/c1-18-14-7-3-2-5-12(14)8-9-15(17)19-13-6-4-10-16-11-13/h2-11H,1H3
InChIKeyYCFUXGGIRGRLRN-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.71
Rot. Bonds4

About pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate

pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate (PubChem CID 4990417) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namepyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate
PubChem CID4990417
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namepyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate
SMILESCOc1ccccc1C=CC(=O)Oc1cccnc1
InChIInChI=1S/C15H13NO3/c1-18-14-7-3-2-5-12(14)8-9-15(17)19-13-6-4-10-16-11-13/h2-11H,1H3
InChIKeyYCFUXGGIRGRLRN-UHFFFAOYSA-N
XLogP2.71
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethylphenyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 734263
tert-butyl 3-(2-methoxyphenyl)prop-2-enoate
CID 72952089
[4-(4-fluorobenzoyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2397099
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995
N-hydroxy-3-(2-pyridin-3-yloxyphenyl)prop-2-enamide
CID 123230894
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664
(2-amino-2-oxoethyl) (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541550
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
2-[3-(2-methoxyphenyl)prop-2-enoyloxy]ethyl-dimethylazanium chloride
CID 71966221
[2-methyl-4-(4-methylphenyl)phenyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2444606
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
3-(2-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 3292811

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate?
The IUPAC name of pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate (CID 4990417) is pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate?
The canonical SMILES for pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate is COc1ccccc1C=CC(=O)Oc1cccnc1.
What is the InChIKey of pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate?
The InChIKey is YCFUXGGIRGRLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-14-7-3-2-5-12(14)8-9-15(17)19-13-6-4-10-16-11-13/h2-11H,1H3.
What are the key properties of pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate?
pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate has a molecular weight of 255.27 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl 3-(2-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 4990417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).