[(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate

C11H14N2O2 — CID 6898276

IUPAC[(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate
SMILESCC(=O)O/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C11H14N2O2/c1-9(14)15-12-8-10-4-6-11(7-5-10)13(2)3/h4-8H,1-3H3/b12-8+
InChIKeyLSSWPZRBIOMZAZ-XYOKQWHBSA-N
MW206.24 g/mol
LogP1.65
Rot. Bonds3

About [(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate

[(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate (PubChem CID 6898276) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate.

Molecular Properties

Compound Name[(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate
PubChem CID6898276
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name[(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate
SMILESCC(=O)O/N=C/c1ccc(N(C)C)cc1
InChIInChI=1S/C11H14N2O2/c1-9(14)15-12-8-10-4-6-11(7-5-10)13(2)3/h4-8H,1-3H3/b12-8+
InChIKeyLSSWPZRBIOMZAZ-XYOKQWHBSA-N
XLogP1.65
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate 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 [(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate?
The IUPAC name of [(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate (CID 6898276) is [(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate.
What is the SMILES notation for [(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate?
The canonical SMILES for [(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate is CC(=O)O/N=C/c1ccc(N(C)C)cc1.
What is the InChIKey of [(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate?
The InChIKey is LSSWPZRBIOMZAZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-9(14)15-12-8-10-4-6-11(7-5-10)13(2)3/h4-8H,1-3H3/b12-8+.
What are the key properties of [(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate?
[(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate has a molecular weight of 206.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[4-(dimethylamino)phenyl]methylideneamino] acetate is sourced from PubChem (CID 6898276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).