5-morpholin-4-ylthiophene-2-carbaldehyde

C9H11NO2S — CID 2326306

IUPAC5-morpholin-4-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCOCC2)s1
InChIInChI=1S/C9H11NO2S/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2
InChIKeyMWCGENRKAMIZLZ-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.40
Rot. Bonds2

About 5-morpholin-4-ylthiophene-2-carbaldehyde

5-morpholin-4-ylthiophene-2-carbaldehyde (PubChem CID 2326306) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 5-morpholin-4-ylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-morpholin-4-ylthiophene-2-carbaldehyde
PubChem CID2326306
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name5-morpholin-4-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(N2CCOCC2)s1
InChIInChI=1S/C9H11NO2S/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2
InChIKeyMWCGENRKAMIZLZ-UHFFFAOYSA-N
XLogP1.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylthiophene-2-carbaldehyde?
The IUPAC name of 5-morpholin-4-ylthiophene-2-carbaldehyde (CID 2326306) is 5-morpholin-4-ylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-morpholin-4-ylthiophene-2-carbaldehyde?
The canonical SMILES for 5-morpholin-4-ylthiophene-2-carbaldehyde is O=Cc1ccc(N2CCOCC2)s1.
What is the InChIKey of 5-morpholin-4-ylthiophene-2-carbaldehyde?
The InChIKey is MWCGENRKAMIZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2.
What are the key properties of 5-morpholin-4-ylthiophene-2-carbaldehyde?
5-morpholin-4-ylthiophene-2-carbaldehyde has a molecular weight of 197.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylthiophene-2-carbaldehyde is sourced from PubChem (CID 2326306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).