diethyl 2,4-dicyanopentanedioate

C11H14N2O4 — CID 15932776

IUPACdiethyl 2,4-dicyanopentanedioate
SMILESCCOC(=O)C(C#N)CC(C#N)C(=O)OCC
InChIInChI=1S/C11H14N2O4/c1-3-16-10(14)8(6-12)5-9(7-13)11(15)17-4-2/h8-9H,3-5H2,1-2H3
InChIKeyMDTMKNDGWZBWNI-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.78
Rot. Bonds6

About diethyl 2,4-dicyanopentanedioate

diethyl 2,4-dicyanopentanedioate (PubChem CID 15932776) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is diethyl 2,4-dicyanopentanedioate.

Molecular Properties

Compound Namediethyl 2,4-dicyanopentanedioate
PubChem CID15932776
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Namediethyl 2,4-dicyanopentanedioate
SMILESCCOC(=O)C(C#N)CC(C#N)C(=O)OCC
InChIInChI=1S/C11H14N2O4/c1-3-16-10(14)8(6-12)5-9(7-13)11(15)17-4-2/h8-9H,3-5H2,1-2H3
InChIKeyMDTMKNDGWZBWNI-UHFFFAOYSA-N
XLogP0.78
TPSA100.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze diethyl 2,4-dicyanopentanedioate 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

ethyl (2R)-2-cyano-4,4-diethoxybutanoate
CID 40640298
potassium 2-cyano-3-ethoxy-3-oxopropan-1-olate
CID 21019425
diethyl (2R)-2-cyanopentanedioate
CID 51381364
ethyl 2-cyano-4,4-dimethylpentanoate
CID 154241927
5-cyano-6-ethoxy-6-oxohexanoic acid
CID 175412793
ethyl 2-cyano-4-hydroxy-4-methylpentanoate
CID 114290111
ethyl 2-cyano-5-oxopentanoate
CID 15888400
ethyl 2-cyano-4-methylsulfanylbutanoate
CID 14585617
ethyl 2-cyano-3-(2,3,4,5,6-pentamethylphenyl)propanoate
CID 2803592
ethyl 2-cyano-5,5-dimethyl-4-oxohexanoate
CID 71381846
ethyl 2-cyano-4-[di(propan-2-yl)amino]-4-oxobutanoate
CID 10706129
[(1S)-1-cyano-2-ethoxy-2-oxoethyl]azanium
CID 6955332

Frequently Asked Questions

What is the IUPAC name of diethyl 2,4-dicyanopentanedioate?
The IUPAC name of diethyl 2,4-dicyanopentanedioate (CID 15932776) is diethyl 2,4-dicyanopentanedioate.
What is the SMILES notation for diethyl 2,4-dicyanopentanedioate?
The canonical SMILES for diethyl 2,4-dicyanopentanedioate is CCOC(=O)C(C#N)CC(C#N)C(=O)OCC.
What is the InChIKey of diethyl 2,4-dicyanopentanedioate?
The InChIKey is MDTMKNDGWZBWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-16-10(14)8(6-12)5-9(7-13)11(15)17-4-2/h8-9H,3-5H2,1-2H3.
What are the key properties of diethyl 2,4-dicyanopentanedioate?
diethyl 2,4-dicyanopentanedioate has a molecular weight of 238.24 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,4-dicyanopentanedioate is sourced from PubChem (CID 15932776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).