3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile

C9H14Cl2N2O — CID 79167562

IUPAC3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC(Cl)=CCl
InChIInChI=1S/C9H14Cl2N2O/c1-14-6-5-13(4-2-3-12)8-9(11)7-10/h7H,2,4-6,8H2,1H3
InChIKeyXZLLXOSRHCIXAU-UHFFFAOYSA-N
MW237.13 g/mol
LogP2.17
Rot. Bonds7

About 3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile

3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile (PubChem CID 79167562) has the molecular formula C9H14Cl2N2O and a molecular weight of 237.13 g/mol. Its IUPAC name is 3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
PubChem CID79167562
Molecular FormulaC9H14Cl2N2O
Molecular Weight237.13 g/mol
Exact Mass236.05
IUPAC Name3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CC(Cl)=CCl
InChIInChI=1S/C9H14Cl2N2O/c1-14-6-5-13(4-2-3-12)8-9(11)7-10/h7H,2,4-6,8H2,1H3
InChIKeyXZLLXOSRHCIXAU-UHFFFAOYSA-N
XLogP2.17
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile 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

3-[2-Chloroethyl(2-methoxyethyl)amino]propanenitrile
CID 63285705
3-[2-Chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
CID 63286707
3-[3-Chloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
CID 76994138
3-[4-Chlorobut-2-enyl(2-methoxyethyl)amino]propanenitrile
CID 77051142
4-(2,3-Dichloroprop-2-enyl)morpholine-2-carbonitrile
CID 79674533
3-[2-(Chloromethyl)prop-2-enyl-(2-methoxyethyl)amino]propanenitrile
CID 103067854
2-Chloro-3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 104308092
2-Chloro-3-[2-cyanoethyl(2-methoxyethyl)amino]propanenitrile
CID 104308292
3-[(3-Chloro-2-methylprop-2-enyl)-(2-methoxyethyl)amino]propanenitrile
CID 106438441
3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 106440051
(E)-3-chloro-N-(2-chloroethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 107901192

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile (CID 79167562) is 3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)CC(Cl)=CCl.
What is the InChIKey of 3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is XZLLXOSRHCIXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N2O/c1-14-6-5-13(4-2-3-12)8-9(11)7-10/h7H,2,4-6,8H2,1H3.
What are the key properties of 3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile?
3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 237.13 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 79167562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).