(Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile

C12H13NO2 — CID 82076703

IUPAC(Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile
SMILESC/C=C(\C#N)c1cc(OC)ccc1OC
InChIInChI=1S/C12H13NO2/c1-4-9(8-13)11-7-10(14-2)5-6-12(11)15-3/h4-7H,1-3H3/b9-4+
InChIKeyLUPHZPPYAJSSIX-RUDMXATFSA-N
MW203.24 g/mol
LogP2.63
Rot. Bonds3

About (Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile

(Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile (PubChem CID 82076703) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile
PubChem CID82076703
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile
SMILESC/C=C(\C#N)c1cc(OC)ccc1OC
InChIInChI=1S/C12H13NO2/c1-4-9(8-13)11-7-10(14-2)5-6-12(11)15-3/h4-7H,1-3H3/b9-4+
InChIKeyLUPHZPPYAJSSIX-RUDMXATFSA-N
XLogP2.63
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethoxyphenyl)-3-methylbut-2-enenitrile
CID 82078956
2-[(Z)-but-2-en-2-yl]-1,4-dimethoxybenzene
CID 10035483
(Z)-2-(3-methoxyphenyl)but-2-enenitrile
CID 10035075
(Z)-2-[4-[(Z)-1-cyano-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 6005345
1,4-dimethoxy-2-[(Z)-1-phenylprop-1-enyl]benzene
CID 102082357
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
(Z)-2-(5-chloro-2-methoxyphenyl)-3-(dimethylamino)prop-2-enenitrile
CID 82116819
2-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 82075391
methyl (E)-3-(2,5-dimethoxyphenyl)but-2-enoate
CID 140902716
(Z)-2-(5-tert-butyl-2-methoxyphenyl)-4-methylpent-2-enenitrile
CID 82089328
N'-[(Z)-1-(2,5-dimethoxyphenyl)prop-1-enyl]ethanimidamide
CID 70338241

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile?
The IUPAC name of (Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile (CID 82076703) is (Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile.
What is the SMILES notation for (Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile?
The canonical SMILES for (Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile is C/C=C(\C#N)c1cc(OC)ccc1OC.
What is the InChIKey of (Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile?
The InChIKey is LUPHZPPYAJSSIX-RUDMXATFSA-N. The full InChI is InChI=1S/C12H13NO2/c1-4-9(8-13)11-7-10(14-2)5-6-12(11)15-3/h4-7H,1-3H3/b9-4+.
What are the key properties of (Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile?
(Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile has a molecular weight of 203.24 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile is sourced from PubChem (CID 82076703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).