(2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine

C10H15NS — CID 154505883

IUPAC(2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine
SMILESC=C/C=C1/NCCS/C1=C/CC
InChIInChI=1S/C10H15NS/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3,5-6,11H,1,4,7-8H2,2H3/b9-5+,10-6+
InChIKeyKCELERCYMDVNNK-NXZHAISVSA-N
MW181.30 g/mol
LogP2.69
Rot. Bonds2

About (2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine

(2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine (PubChem CID 154505883) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine.

Molecular Properties

Compound Name(2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine
PubChem CID154505883
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name(2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine
SMILESC=C/C=C1/NCCS/C1=C/CC
InChIInChI=1S/C10H15NS/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3,5-6,11H,1,4,7-8H2,2H3/b9-5+,10-6+
InChIKeyKCELERCYMDVNNK-NXZHAISVSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine?
The IUPAC name of (2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine (CID 154505883) is (2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine.
What is the SMILES notation for (2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine?
The canonical SMILES for (2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine is C=C/C=C1/NCCS/C1=C/CC.
What is the InChIKey of (2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine?
The InChIKey is KCELERCYMDVNNK-NXZHAISVSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3,5-6,11H,1,4,7-8H2,2H3/b9-5+,10-6+.
What are the key properties of (2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine?
(2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine has a molecular weight of 181.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-prop-2-enylidene-2-propylidenethiomorpholine is sourced from PubChem (CID 154505883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).