ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine

C13H23NO — CID 171517233

IUPACethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine
SMILESC=C/C=C1/CNC(COC)CC1=C.CC
InChIInChI=1S/C11H17NO.C2H6/c1-4-5-10-7-12-11(8-13-3)6-9(10)2;1-2/h4-5,11-12H,1-2,6-8H2,3H3;1-2H3/b10-5-;
InChIKeyWALGDFIWYHUNJJ-WIMVAJRLSA-N
MW209.33 g/mol
LogP2.69
Rot. Bonds3

About ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine

ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine (PubChem CID 171517233) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine.

Molecular Properties

Compound Nameethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine
PubChem CID171517233
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Nameethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine
SMILESC=C/C=C1/CNC(COC)CC1=C.CC
InChIInChI=1S/C11H17NO.C2H6/c1-4-5-10-7-12-11(8-13-3)6-9(10)2;1-2/h4-5,11-12H,1-2,6-8H2,3H3;1-2H3/b10-5-;
InChIKeyWALGDFIWYHUNJJ-WIMVAJRLSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine 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;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine?
The IUPAC name of ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine (CID 171517233) is ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine.
What is the SMILES notation for ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine?
The canonical SMILES for ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine is C=C/C=C1/CNC(COC)CC1=C.CC.
What is the InChIKey of ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine?
The InChIKey is WALGDFIWYHUNJJ-WIMVAJRLSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-4-5-10-7-12-11(8-13-3)6-9(10)2;1-2/h4-5,11-12H,1-2,6-8H2,3H3;1-2H3/b10-5-;.
What are the key properties of ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine?
ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine has a molecular weight of 209.33 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-2-(methoxymethyl)-4-methylidene-5-prop-2-enylidenepiperidine is sourced from PubChem (CID 171517233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).