(5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one

C10H13NOS — CID 143253956

IUPAC(5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one
SMILESC=C/C=C1/SCC(=O)N/C1=C/CC
InChIInChI=1S/C10H13NOS/c1-3-5-8-9(6-4-2)13-7-10(12)11-8/h4-6H,2-3,7H2,1H3,(H,11,12)/b8-5+,9-6+
InChIKeyKOGVLEITWQJWJT-XVYDYJIPSA-N
MW195.29 g/mol
LogP2.21
Rot. Bonds2

About (5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one

(5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one (PubChem CID 143253956) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is (5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one.

Molecular Properties

Compound Name(5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one
PubChem CID143253956
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name(5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one
SMILESC=C/C=C1/SCC(=O)N/C1=C/CC
InChIInChI=1S/C10H13NOS/c1-3-5-8-9(6-4-2)13-7-10(12)11-8/h4-6H,2-3,7H2,1H3,(H,11,12)/b8-5+,9-6+
InChIKeyKOGVLEITWQJWJT-XVYDYJIPSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one?
The IUPAC name of (5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one (CID 143253956) is (5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one.
What is the SMILES notation for (5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one?
The canonical SMILES for (5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one is C=C/C=C1/SCC(=O)N/C1=C/CC.
What is the InChIKey of (5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one?
The InChIKey is KOGVLEITWQJWJT-XVYDYJIPSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-5-8-9(6-4-2)13-7-10(12)11-8/h4-6H,2-3,7H2,1H3,(H,11,12)/b8-5+,9-6+.
What are the key properties of (5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one?
(5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one has a molecular weight of 195.29 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-6-prop-2-enylidene-5-propylidenethiomorpholin-3-one is sourced from PubChem (CID 143253956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).