4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine

C18H21NOS — CID 101393200

IUPAC4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine
SMILESCc1ccc(/C=C(/CN2CCOCC2)c2ccsc2)cc1
InChIInChI=1S/C18H21NOS/c1-15-2-4-16(5-3-15)12-18(17-6-11-21-14-17)13-19-7-9-20-10-8-19/h2-6,11-12,14H,7-10,13H2,1H3/b18-12-
InChIKeyJGKMIQPAZZBMSW-PDGQHHTCSA-N
MW299.44 g/mol
LogP3.93
Rot. Bonds4

About 4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine

4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine (PubChem CID 101393200) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine
PubChem CID101393200
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine
SMILESCc1ccc(/C=C(/CN2CCOCC2)c2ccsc2)cc1
InChIInChI=1S/C18H21NOS/c1-15-2-4-16(5-3-15)12-18(17-6-11-21-14-17)13-19-7-9-20-10-8-19/h2-6,11-12,14H,7-10,13H2,1H3/b18-12-
InChIKeyJGKMIQPAZZBMSW-PDGQHHTCSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine?
The IUPAC name of 4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine (CID 101393200) is 4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine is Cc1ccc(/C=C(/CN2CCOCC2)c2ccsc2)cc1.
What is the InChIKey of 4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine?
The InChIKey is JGKMIQPAZZBMSW-PDGQHHTCSA-N. The full InChI is InChI=1S/C18H21NOS/c1-15-2-4-16(5-3-15)12-18(17-6-11-21-14-17)13-19-7-9-20-10-8-19/h2-6,11-12,14H,7-10,13H2,1H3/b18-12-.
What are the key properties of 4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine?
4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine has a molecular weight of 299.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-methylphenyl)-2-thiophen-3-ylprop-2-enyl]morpholine is sourced from PubChem (CID 101393200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).