2-[2-(2-methoxyethoxy)acetyl]propanedinitrile

C8H10N2O3 — CID 90789263

IUPAC2-[2-(2-methoxyethoxy)acetyl]propanedinitrile
SMILESCOCCOCC(=O)C(C#N)C#N
InChIInChI=1S/C8H10N2O3/c1-12-2-3-13-6-8(11)7(4-9)5-10/h7H,2-3,6H2,1H3
InChIKeyNKCODCKCPGRCPY-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.12
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)acetyl]propanedinitrile

2-[2-(2-methoxyethoxy)acetyl]propanedinitrile (PubChem CID 90789263) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)acetyl]propanedinitrile.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)acetyl]propanedinitrile
PubChem CID90789263
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-[2-(2-methoxyethoxy)acetyl]propanedinitrile
SMILESCOCCOCC(=O)C(C#N)C#N
InChIInChI=1S/C8H10N2O3/c1-12-2-3-13-6-8(11)7(4-9)5-10/h7H,2-3,6H2,1H3
InChIKeyNKCODCKCPGRCPY-UHFFFAOYSA-N
XLogP-0.12
TPSA83.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(2-methoxyethoxy)acetyl]propanedinitrile 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

1,3-bis(2-methoxyethoxy)propan-2-one
CID 14893271
2-cyano-5-(2-methoxyethoxy)pentanoic acid
CID 163536414
methyl 2-cyano-3-methoxypropanoate
CID 88578090
2-hydroxyethyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 89335771
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 175805082
2-(bromomethyl)-4-[2-(2-methoxyethoxy)ethoxy]butanenitrile
CID 104567054
S-(2-hydroxyethyl) 2-(2-methoxyethoxy)ethanethioate
CID 176806136
2-[2-(2-methoxyethoxy)ethoxy]-N-methylacetamide
CID 22961397
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
ethane-1,2-diol;2-methoxyethanol;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 161198801
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)acetyl]propanedinitrile?
The IUPAC name of 2-[2-(2-methoxyethoxy)acetyl]propanedinitrile (CID 90789263) is 2-[2-(2-methoxyethoxy)acetyl]propanedinitrile.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)acetyl]propanedinitrile?
The canonical SMILES for 2-[2-(2-methoxyethoxy)acetyl]propanedinitrile is COCCOCC(=O)C(C#N)C#N.
What is the InChIKey of 2-[2-(2-methoxyethoxy)acetyl]propanedinitrile?
The InChIKey is NKCODCKCPGRCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-12-2-3-13-6-8(11)7(4-9)5-10/h7H,2-3,6H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)acetyl]propanedinitrile?
2-[2-(2-methoxyethoxy)acetyl]propanedinitrile has a molecular weight of 182.18 g/mol, XLogP of -0.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)acetyl]propanedinitrile is sourced from PubChem (CID 90789263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).