2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile

C13H10N4O2 — CID 168607208

IUPAC2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile
SMILESCOCOc1ccccc1NC(C#N)=C(C#N)C#N
InChIInChI=1S/C13H10N4O2/c1-18-9-19-13-5-3-2-4-11(13)17-12(8-16)10(6-14)7-15/h2-5,17H,9H2,1H3
InChIKeyNYMSZNQAZDTOSJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.91
Rot. Bonds5

About 2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile

2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile (PubChem CID 168607208) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile
PubChem CID168607208
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile
SMILESCOCOc1ccccc1NC(C#N)=C(C#N)C#N
InChIInChI=1S/C13H10N4O2/c1-18-9-19-13-5-3-2-4-11(13)17-12(8-16)10(6-14)7-15/h2-5,17H,9H2,1H3
InChIKeyNYMSZNQAZDTOSJ-UHFFFAOYSA-N
XLogP1.91
TPSA101.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(methoxymethoxy)anilino]methylidene]propanedinitrile
CID 168542135
2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443
2-(2-cyclohexyloxyanilino)ethene-1,1,2-tricarbonitrile
CID 168608105
2-(methoxymethoxy)benzonitrile
CID 10352018
2-(2-phenylanilino)ethene-1,1,2-tricarbonitrile
CID 168606413
dimethyl (E)-2-[2-(methoxymethoxy)anilino]but-2-enedioate
CID 168570585
2-(2,4-dimethoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168610584
3-methoxy-4-(1,2,2-tricyanoethenylamino)benzoic acid
CID 168606277
2-(4-acetyl-2-methoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168607608
2-(2-propylsulfanylanilino)ethene-1,1,2-tricarbonitrile
CID 168607632
2-[4-(2-methoxyphenyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607250
2-[5-fluoro-2-(2-thiophen-2-ylethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609230

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile (CID 168607208) is 2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile is COCOc1ccccc1NC(C#N)=C(C#N)C#N.
What is the InChIKey of 2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile?
The InChIKey is NYMSZNQAZDTOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-18-9-19-13-5-3-2-4-11(13)17-12(8-16)10(6-14)7-15/h2-5,17H,9H2,1H3.
What are the key properties of 2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile?
2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile has a molecular weight of 254.25 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethoxy)anilino]ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 168607208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).