2-Methyl-5-(3,4-methylenedioxycinnamoyl)pyridine

2-Methyl-5-(3,4-methylenedioxycinnamoyl)pyridine
Compound Structure:
Synonyms: 2-Methyl-5-(3,4-methylenedioxycinnamoyl)pyridine;(2E)-3-(1,3-Benzodioxol-5-yl)-1-(6-methyl-3-pyridinyl)-2-propen-1-one
Compound ID: NMPC-263
PubChem ID:

5377776
Molecular Formula: C16H13NO3
Canonical SMILES: CC1=NC=C(C=C1)C(=O)C=CC2=CC3=C(C=C2)OCO3
InChIKey: CYSMHMVEPBRIIW-ZZXKWVIFSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

267.28 g/mol

XLogP3-AA

2.8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Rotatable Bond Count

3

Exact Mass

267.08954328 g/mol

Monoisotopic Mass

267.08954328 g/mol

Topological Polar Surface Area

48.4Ų

Heavy Atom Count

20

Formal Charge

0

Complexity

382

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Pentaclethra macrophylla
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