(5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one

C11H15NOS — CID 89129824

IUPAC(5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one
SMILESC=C/C=C1/SCC(=O)N/C1=C/C(C)C
InChIInChI=1S/C11H15NOS/c1-4-5-10-9(6-8(2)3)12-11(13)7-14-10/h4-6,8H,1,7H2,2-3H3,(H,12,13)/b9-6+,10-5+
InChIKeyHKUIONDARUCFSV-TXFIJWAUSA-N
MW209.31 g/mol
LogP2.46
Rot. Bonds2

About (5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one

(5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one (PubChem CID 89129824) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one.

Molecular Properties

Compound Name(5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one
PubChem CID89129824
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one
SMILESC=C/C=C1/SCC(=O)N/C1=C/C(C)C
InChIInChI=1S/C11H15NOS/c1-4-5-10-9(6-8(2)3)12-11(13)7-14-10/h4-6,8H,1,7H2,2-3H3,(H,12,13)/b9-6+,10-5+
InChIKeyHKUIONDARUCFSV-TXFIJWAUSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one?
The IUPAC name of (5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one (CID 89129824) is (5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one.
What is the SMILES notation for (5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one?
The canonical SMILES for (5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one is C=C/C=C1/SCC(=O)N/C1=C/C(C)C.
What is the InChIKey of (5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one?
The InChIKey is HKUIONDARUCFSV-TXFIJWAUSA-N. The full InChI is InChI=1S/C11H15NOS/c1-4-5-10-9(6-8(2)3)12-11(13)7-14-10/h4-6,8H,1,7H2,2-3H3,(H,12,13)/b9-6+,10-5+.
What are the key properties of (5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one?
(5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one has a molecular weight of 209.31 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5-(2-methylpropylidene)-6-prop-2-enylidenethiomorpholin-3-one is sourced from PubChem (CID 89129824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).