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

C11H17NO2 — CID 143523656

IUPAC[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine
SMILESC/C=C\C=C1\OC(CN)CO\C1=C\C
InChIInChI=1S/C11H17NO2/c1-3-5-6-11-10(4-2)13-8-9(7-12)14-11/h3-6,9H,7-8,12H2,1-2H3/b5-3-,10-4+,11-6+
InChIKeyKDTKEODTFMPRRW-JCQFFWSUSA-N
MW195.26 g/mol
LogP1.72
Rot. Bonds2

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

[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine (PubChem CID 143523656) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine.

Molecular Properties

Compound Name[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine
PubChem CID143523656
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine
SMILESC/C=C\C=C1\OC(CN)CO\C1=C\C
InChIInChI=1S/C11H17NO2/c1-3-5-6-11-10(4-2)13-8-9(7-12)14-11/h3-6,9H,7-8,12H2,1-2H3/b5-3-,10-4+,11-6+
InChIKeyKDTKEODTFMPRRW-JCQFFWSUSA-N
XLogP1.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine?
The IUPAC name of [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine (CID 143523656) is [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine.
What is the SMILES notation for [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine?
The canonical SMILES for [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine is C/C=C\C=C1\OC(CN)CO\C1=C\C.
What is the InChIKey of [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine?
The InChIKey is KDTKEODTFMPRRW-JCQFFWSUSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-5-6-11-10(4-2)13-8-9(7-12)14-11/h3-6,9H,7-8,12H2,1-2H3/b5-3-,10-4+,11-6+.
What are the key properties of [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine?
[(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine has a molecular weight of 195.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5E,6E)-6-[(Z)-but-2-enylidene]-5-ethylidene-1,4-dioxan-2-yl]methanamine is sourced from PubChem (CID 143523656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).