(Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile

C15H13NO3 — CID 6299125

IUPAC(Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/c2ccco2)cc1OC
InChIInChI=1S/C15H13NO3/c1-17-14-6-5-11(9-15(14)18-2)12(10-16)8-13-4-3-7-19-13/h3-9H,1-2H3/b12-8+
InChIKeyYRWVICFHMHUCPY-XYOKQWHBSA-N
MW255.27 g/mol
LogP3.36
Rot. Bonds4

About (Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile

(Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile (PubChem CID 6299125) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is (Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile
PubChem CID6299125
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name(Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile
SMILESCOc1ccc(/C(C#N)=C/c2ccco2)cc1OC
InChIInChI=1S/C15H13NO3/c1-17-14-6-5-11(9-15(14)18-2)12(10-16)8-13-4-3-7-19-13/h3-9H,1-2H3/b12-8+
InChIKeyYRWVICFHMHUCPY-XYOKQWHBSA-N
XLogP3.36
TPSA55.39 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 ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 67228375
(E)-2-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 102248892
4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzonitrile
CID 10401953
sodium (Z)-2-(3,4-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enenitrile
CID 23089833
(Z)-3-(3-bromophenyl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 870519
3-[5-(3-aminophenyl)furan-2-yl]-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 67226971
(E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enamide
CID 7912177
(Z)-2-(3,4-dimethoxyphenyl)-3-[5-(4-methylpiperazin-1-yl)furan-2-yl]prop-2-enenitrile
CID 11965496
(E)-3-(furan-2-yl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695689
(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 21206013
2-(3,4-dimethoxyphenyl)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enenitrile
CID 4296561
sodium 2-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]benzenesulfonate
CID 23705416

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile (CID 6299125) is (Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile is COc1ccc(/C(C#N)=C/c2ccco2)cc1OC.
What is the InChIKey of (Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile?
The InChIKey is YRWVICFHMHUCPY-XYOKQWHBSA-N. The full InChI is InChI=1S/C15H13NO3/c1-17-14-6-5-11(9-15(14)18-2)12(10-16)8-13-4-3-7-19-13/h3-9H,1-2H3/b12-8+.
What are the key properties of (Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile?
(Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile has a molecular weight of 255.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,4-dimethoxyphenyl)-3-(furan-2-yl)prop-2-enenitrile is sourced from PubChem (CID 6299125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).