1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one

C11H13NO2S — CID 887642

IUPAC1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1cccs1)N1CCOCC1
InChIInChI=1S/C11H13NO2S/c13-11(12-5-7-14-8-6-12)4-3-10-2-1-9-15-10/h1-4,9H,5-8H2
InChIKeyKYCCUOPBWDJDOE-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.62
Rot. Bonds2

About 1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one

1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 887642) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one
PubChem CID887642
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1cccs1)N1CCOCC1
InChIInChI=1S/C11H13NO2S/c13-11(12-5-7-14-8-6-12)4-3-10-2-1-9-15-10/h1-4,9H,5-8H2
InChIKeyKYCCUOPBWDJDOE-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of 1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one (CID 887642) is 1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one is O=C(C=Cc1cccs1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is KYCCUOPBWDJDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c13-11(12-5-7-14-8-6-12)4-3-10-2-1-9-15-10/h1-4,9H,5-8H2.
What are the key properties of 1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one?
1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 223.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 887642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).