2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile

C11H10N4O2 — CID 169339661

IUPAC2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESCOCOc1cccc(NN=C(C#N)C#N)c1
InChIInChI=1S/C11H10N4O2/c1-16-8-17-11-4-2-3-9(5-11)14-15-10(6-12)7-13/h2-5,14H,8H2,1H3
InChIKeyYYLZZTSKCGHEMZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.48
Rot. Bonds5

About 2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile

2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169339661) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169339661
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
SMILESCOCOc1cccc(NN=C(C#N)C#N)c1
InChIInChI=1S/C11H10N4O2/c1-16-8-17-11-4-2-3-9(5-11)14-15-10(6-12)7-13/h2-5,14H,8H2,1H3
InChIKeyYYLZZTSKCGHEMZ-UHFFFAOYSA-N
XLogP1.48
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(2,2,2-trifluoroethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339736
2-[(3-prop-2-enoxyphenyl)hydrazinylidene]propanedinitrile
CID 169338880
2-[[2-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338443
2-[[3-(4-fluorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339853
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338906
methyl 2-cyano-2-[(3-ethoxyphenyl)hydrazinylidene]acetate
CID 829140
methyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]acetate
CID 169337886
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-[[3-(4-ethoxy-3,5-dimethylphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339424
2-[[3-(3,4,5-trimethoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339325
N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide
CID 169337738
1-[3-(methoxymethoxy)phenyl]-N-methylmethanamine
CID 22931996

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile (CID 169339661) is 2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile is COCOc1cccc(NN=C(C#N)C#N)c1.
What is the InChIKey of 2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is YYLZZTSKCGHEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-16-8-17-11-4-2-3-9(5-11)14-15-10(6-12)7-13/h2-5,14H,8H2,1H3.
What are the key properties of 2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile?
2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 230.23 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169339661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).