N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide

C11H12N4 — CID 144652967

IUPACN'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide
SMILESC=Cc1ccc(N(C)/N=C\N)c(C#N)c1
InChIInChI=1S/C11H12N4/c1-3-9-4-5-11(10(6-9)7-12)15(2)14-8-13/h3-6,8H,1H2,2H3,(H2,13,14)
InChIKeyHRBINOGZIYFIAQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.54
Rot. Bonds3

About N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide

N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide (PubChem CID 144652967) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide.

Molecular Properties

Compound NameN'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide
PubChem CID144652967
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC NameN'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide
SMILESC=Cc1ccc(N(C)/N=C\N)c(C#N)c1
InChIInChI=1S/C11H12N4/c1-3-9-4-5-11(10(6-9)7-12)15(2)14-8-13/h3-6,8H,1H2,2H3,(H2,13,14)
InChIKeyHRBINOGZIYFIAQ-UHFFFAOYSA-N
XLogP1.54
TPSA65.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide?
The IUPAC name of N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide (CID 144652967) is N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide.
What is the SMILES notation for N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide?
The canonical SMILES for N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide is C=Cc1ccc(N(C)/N=C\N)c(C#N)c1.
What is the InChIKey of N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide?
The InChIKey is HRBINOGZIYFIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-3-9-4-5-11(10(6-9)7-12)15(2)14-8-13/h3-6,8H,1H2,2H3,(H2,13,14).
What are the key properties of N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide?
N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide has a molecular weight of 200.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-4-ethenyl-N-methylanilino)methanimidamide is sourced from PubChem (CID 144652967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).