4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine

C17H19NO2 — CID 5354786

IUPAC4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine
SMILESCC/C(=C/c1cccc(OC)c1OC)c1ccncc1
InChIInChI=1S/C17H19NO2/c1-4-13(14-8-10-18-11-9-14)12-15-6-5-7-16(19-2)17(15)20-3/h5-12H,4H2,1-3H3/b13-12-
InChIKeyYXWFEYDSRHCXBA-SEYXRHQNSA-N
MW269.34 g/mol
LogP4.05
Rot. Bonds5

About 4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine

4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine (PubChem CID 5354786) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine.

Molecular Properties

Compound Name4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine
PubChem CID5354786
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine
SMILESCC/C(=C/c1cccc(OC)c1OC)c1ccncc1
InChIInChI=1S/C17H19NO2/c1-4-13(14-8-10-18-11-9-14)12-15-6-5-7-16(19-2)17(15)20-3/h5-12H,4H2,1-3H3/b13-12-
InChIKeyYXWFEYDSRHCXBA-SEYXRHQNSA-N
XLogP4.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-(2,3-dimethoxyphenyl)-1-pyridin-4-ylethenyl]formamide
CID 19595460
chloroform;N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 139060030
(E)-3-(2,3-dimethoxyphenyl)prop-2-en-1-ol
CID 67913122
(Z)-3-(2,3-dimethoxyphenyl)-2-(4-ethylphenyl)prop-2-enoic acid
CID 83951414
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60893026
(Z)-3-(2,3-dimethoxyphenyl)-2-(methoxymethyl)prop-2-enenitrile
CID 10823527
trimethylsilyl (E)-3-(2,3-dimethoxyphenyl)-2-trimethylsilyloxyprop-2-enoate
CID 5372919
1-ethoxy-2-methoxy-3-[(Z)-2-nitrobut-1-enyl]benzene
CID 55016783
(E)-3-(2-methoxyphenyl)-1-pyridin-4-ylprop-2-en-1-one
CID 6262995
3-(3-ethoxy-2-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334340
2-(4-bromophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enenitrile
CID 2975737
(E)-2-(4-chlorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enenitrile
CID 912018

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine?
The IUPAC name of 4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine (CID 5354786) is 4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine.
What is the SMILES notation for 4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine?
The canonical SMILES for 4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine is CC/C(=C/c1cccc(OC)c1OC)c1ccncc1.
What is the InChIKey of 4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine?
The InChIKey is YXWFEYDSRHCXBA-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H19NO2/c1-4-13(14-8-10-18-11-9-14)12-15-6-5-7-16(19-2)17(15)20-3/h5-12H,4H2,1-3H3/b13-12-.
What are the key properties of 4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine?
4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine has a molecular weight of 269.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine is sourced from PubChem (CID 5354786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).