(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine

C11H17NS — CID 89129886

IUPAC(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine
SMILESC=C/C=C1/SCCN/C1=C/C(C)C
InChIInChI=1S/C11H17NS/c1-4-5-11-10(8-9(2)3)12-6-7-13-11/h4-5,8-9,12H,1,6-7H2,2-3H3/b10-8+,11-5+
InChIKeyVAZBXWNWHDIRQM-BSJVZVMRSA-N
MW195.33 g/mol
LogP2.93
Rot. Bonds2

About (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine

(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine (PubChem CID 89129886) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine.

Molecular Properties

Compound Name(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine
PubChem CID89129886
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine
SMILESC=C/C=C1/SCCN/C1=C/C(C)C
InChIInChI=1S/C11H17NS/c1-4-5-11-10(8-9(2)3)12-6-7-13-11/h4-5,8-9,12H,1,6-7H2,2-3H3/b10-8+,11-5+
InChIKeyVAZBXWNWHDIRQM-BSJVZVMRSA-N
XLogP2.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine?
The IUPAC name of (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine (CID 89129886) is (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine.
What is the SMILES notation for (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine?
The canonical SMILES for (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine is C=C/C=C1/SCCN/C1=C/C(C)C.
What is the InChIKey of (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine?
The InChIKey is VAZBXWNWHDIRQM-BSJVZVMRSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-5-11-10(8-9(2)3)12-6-7-13-11/h4-5,8-9,12H,1,6-7H2,2-3H3/b10-8+,11-5+.
What are the key properties of (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine?
(2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine has a molecular weight of 195.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-(2-methylpropylidene)-2-prop-2-enylidenethiomorpholine is sourced from PubChem (CID 89129886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).