ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine

C13H19NO — CID 91346587

IUPACethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine
SMILESC=C(/C=N\OCC)c1ccccc1.CC
InChIInChI=1S/C11H13NO.C2H6/c1-3-13-12-9-10(2)11-7-5-4-6-8-11;1-2/h4-9H,2-3H2,1H3;1-2H3/b12-9-;
InChIKeyRNFDMHYKMIHEBZ-MWMYENNMSA-N
MW205.30 g/mol
LogP3.75
Rot. Bonds4

About ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine

ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine (PubChem CID 91346587) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine.

Molecular Properties

Compound Nameethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine
PubChem CID91346587
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Nameethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine
SMILESC=C(/C=N\OCC)c1ccccc1.CC
InChIInChI=1S/C11H13NO.C2H6/c1-3-13-12-9-10(2)11-7-5-4-6-8-11;1-2/h4-9H,2-3H2,1H3;1-2H3/b12-9-;
InChIKeyRNFDMHYKMIHEBZ-MWMYENNMSA-N
XLogP3.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine 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 ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine?
The IUPAC name of ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine (CID 91346587) is ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine.
What is the SMILES notation for ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine?
The canonical SMILES for ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine is C=C(/C=N\OCC)c1ccccc1.CC.
What is the InChIKey of ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine?
The InChIKey is RNFDMHYKMIHEBZ-MWMYENNMSA-N. The full InChI is InChI=1S/C11H13NO.C2H6/c1-3-13-12-9-10(2)11-7-5-4-6-8-11;1-2/h4-9H,2-3H2,1H3;1-2H3/b12-9-;.
What are the key properties of ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine?
ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine has a molecular weight of 205.30 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethoxy-2-phenylprop-2-en-1-imine is sourced from PubChem (CID 91346587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).