[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine

C10H15NO2 — CID 143497187

IUPAC[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine
SMILESC=C/C=C1/OC(CN)CO/C1=C/C
InChIInChI=1S/C10H15NO2/c1-3-5-10-9(4-2)12-7-8(6-11)13-10/h3-5,8H,1,6-7,11H2,2H3/b9-4+,10-5+
InChIKeyPWMWADKCVGRTPY-LUZURFALSA-N
MW181.23 g/mol
LogP1.33
Rot. Bonds2

About [(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine

[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine (PubChem CID 143497187) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is [(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine.

Molecular Properties

Compound Name[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine
PubChem CID143497187
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine
SMILESC=C/C=C1/OC(CN)CO/C1=C/C
InChIInChI=1S/C10H15NO2/c1-3-5-10-9(4-2)12-7-8(6-11)13-10/h3-5,8H,1,6-7,11H2,2H3/b9-4+,10-5+
InChIKeyPWMWADKCVGRTPY-LUZURFALSA-N
XLogP1.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine 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 [(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine?
The IUPAC name of [(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine (CID 143497187) is [(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine.
What is the SMILES notation for [(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine?
The canonical SMILES for [(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine is C=C/C=C1/OC(CN)CO/C1=C/C.
What is the InChIKey of [(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine?
The InChIKey is PWMWADKCVGRTPY-LUZURFALSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-5-10-9(4-2)12-7-8(6-11)13-10/h3-5,8H,1,6-7,11H2,2H3/b9-4+,10-5+.
What are the key properties of [(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine?
[(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine has a molecular weight of 181.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,6E)-5-ethylidene-6-prop-2-enylidene-1,4-dioxan-2-yl]methanamine is sourced from PubChem (CID 143497187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).