2-(2,4-dimethoxyphenyl)prop-2-enenitrile

C11H11NO2 — CID 82075391

IUPAC2-(2,4-dimethoxyphenyl)prop-2-enenitrile
SMILESC=C(C#N)c1ccc(OC)cc1OC
InChIInChI=1S/C11H11NO2/c1-8(7-12)10-5-4-9(13-2)6-11(10)14-3/h4-6H,1H2,2-3H3
InChIKeyDXOXTHZFGXQIRC-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.24
Rot. Bonds3

About 2-(2,4-dimethoxyphenyl)prop-2-enenitrile

2-(2,4-dimethoxyphenyl)prop-2-enenitrile (PubChem CID 82075391) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)prop-2-enenitrile
PubChem CID82075391
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-(2,4-dimethoxyphenyl)prop-2-enenitrile
SMILESC=C(C#N)c1ccc(OC)cc1OC
InChIInChI=1S/C11H11NO2/c1-8(7-12)10-5-4-9(13-2)6-11(10)14-3/h4-6H,1H2,2-3H3
InChIKeyDXOXTHZFGXQIRC-UHFFFAOYSA-N
XLogP2.24
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxyphenyl)prop-2-enamide
CID 174817497
methyl 2-(2,4-dimethoxyphenyl)prop-2-enoate
CID 116843206
2-(2,5-dimethoxyphenyl)-3-methylbut-2-enenitrile
CID 82078956
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2-(2,4-dimethoxyphenyl)-2-hydroxyethenone
CID 86181378
2,4-dimethoxybenzoate
CID 6947027
1-(2,4-dimethoxyphenyl)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]ethanimine
CID 1032559
(Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile
CID 82076703
3-(2,4-dimethoxyphenyl)-3-hydroxy-2,2-dimethylpropanenitrile
CID 79137198
1-(2,4-dimethoxyphenyl)pent-3-yn-1-one
CID 114964937
2,4-dimethoxy-1-oct-1-en-2-ylbenzene
CID 101483089

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)prop-2-enenitrile?
The IUPAC name of 2-(2,4-dimethoxyphenyl)prop-2-enenitrile (CID 82075391) is 2-(2,4-dimethoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)prop-2-enenitrile?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)prop-2-enenitrile is C=C(C#N)c1ccc(OC)cc1OC.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)prop-2-enenitrile?
The InChIKey is DXOXTHZFGXQIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-8(7-12)10-5-4-9(13-2)6-11(10)14-3/h4-6H,1H2,2-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)prop-2-enenitrile?
2-(2,4-dimethoxyphenyl)prop-2-enenitrile has a molecular weight of 189.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 82075391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).