(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal

C15H13NO2 — CID 134965441

IUPAC(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
SMILESCOc1ccc(/C(C=O)=C\c2cccnc2)cc1
InChIInChI=1S/C15H13NO2/c1-18-15-6-4-13(5-7-15)14(11-17)9-12-3-2-8-16-10-12/h2-11H,1H3/b14-9-
InChIKeyHNGJJQQEFMBYCY-ZROIWOOFSA-N
MW239.27 g/mol
LogP2.83
Rot. Bonds4

About (E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal

(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal (PubChem CID 134965441) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal.

Molecular Properties

Compound Name(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
PubChem CID134965441
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal
SMILESCOc1ccc(/C(C=O)=C\c2cccnc2)cc1
InChIInChI=1S/C15H13NO2/c1-18-15-6-4-13(5-7-15)14(11-17)9-12-3-2-8-16-10-12/h2-11H,1H3/b14-9-
InChIKeyHNGJJQQEFMBYCY-ZROIWOOFSA-N
XLogP2.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 21283706
(E)-2-[4-[4-[(E)-3-oxoprop-1-enyl]phenoxy]phenyl]-3-pyridin-3-ylprop-2-enal
CID 89275370
3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
CID 122218067
(Z)-2-methoxy-3-pyridin-3-ylprop-2-enal
CID 102492010
(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal
CID 102460095
(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal
CID 71812647
(2E,4E,6Z,8E)-7-(4-methoxyphenyl)-3-methyl-9-pyridin-3-ylnona-2,4,6,8-tetraen-1-amine
CID 121373949
(NE,1Z)-4-methoxy-N-(pyridin-3-ylmethylidene)benzenecarbohydrazonoyl chloride
CID 177475963
(Z)-2-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-enoic acid
CID 83956223
(E)-1-(2,5-dimethoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 6366746
(E)-3-(6-methoxynaphthalen-2-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854375
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal?
The IUPAC name of (E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal (CID 134965441) is (E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal.
What is the SMILES notation for (E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal?
The canonical SMILES for (E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal is COc1ccc(/C(C=O)=C\c2cccnc2)cc1.
What is the InChIKey of (E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal?
The InChIKey is HNGJJQQEFMBYCY-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-15-6-4-13(5-7-15)14(11-17)9-12-3-2-8-16-10-12/h2-11H,1H3/b14-9-.
What are the key properties of (E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal?
(E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal has a molecular weight of 239.27 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-enal is sourced from PubChem (CID 134965441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).