(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine

C15H21NS — CID 143411152

IUPAC(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine
SMILESC=C/C=C1C(=C/C)\SC(C=C)C(/C=C\C)N\1C
InChIInChI=1S/C15H21NS/c1-6-10-12-14(8-3)17-15(9-4)13(11-7-2)16(12)5/h6-11,13,15H,1,4H2,2-3,5H3/b11-7-,12-10+,14-8+
InChIKeyUQMNCSRESKKUOY-VDPGEEPBSA-N
MW247.41 g/mol
LogP4.14
Rot. Bonds3

About (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine

(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine (PubChem CID 143411152) has the molecular formula C15H21NS and a molecular weight of 247.41 g/mol. Its IUPAC name is (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine.

Molecular Properties

Compound Name(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine
PubChem CID143411152
Molecular FormulaC15H21NS
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC Name(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine
SMILESC=C/C=C1C(=C/C)\SC(C=C)C(/C=C\C)N\1C
InChIInChI=1S/C15H21NS/c1-6-10-12-14(8-3)17-15(9-4)13(11-7-2)16(12)5/h6-11,13,15H,1,4H2,2-3,5H3/b11-7-,12-10+,14-8+
InChIKeyUQMNCSRESKKUOY-VDPGEEPBSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine?
The IUPAC name of (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine (CID 143411152) is (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine.
What is the SMILES notation for (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine?
The canonical SMILES for (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine is C=C/C=C1C(=C/C)\SC(C=C)C(/C=C\C)N\1C.
What is the InChIKey of (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine?
The InChIKey is UQMNCSRESKKUOY-VDPGEEPBSA-N. The full InChI is InChI=1S/C15H21NS/c1-6-10-12-14(8-3)17-15(9-4)13(11-7-2)16(12)5/h6-11,13,15H,1,4H2,2-3,5H3/b11-7-,12-10+,14-8+.
What are the key properties of (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine?
(5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine has a molecular weight of 247.41 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-2-ethenyl-6-ethylidene-4-methyl-3-[(Z)-prop-1-enyl]-5-prop-2-enylidenethiomorpholine is sourced from PubChem (CID 143411152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).