1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde

C11H11NOS — CID 125456045

IUPAC1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde
SMILESCCn1ccc(-c2cccs2)c1C=O
InChIInChI=1S/C11H11NOS/c1-2-12-6-5-9(10(12)8-13)11-4-3-7-14-11/h3-8H,2H2,1H3
InChIKeyHFHLZEGQABQECN-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.05
Rot. Bonds3

About 1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde

1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde (PubChem CID 125456045) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde
PubChem CID125456045
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde
SMILESCCn1ccc(-c2cccs2)c1C=O
InChIInChI=1S/C11H11NOS/c1-2-12-6-5-9(10(12)8-13)11-4-3-7-14-11/h3-8H,2H2,1H3
InChIKeyHFHLZEGQABQECN-UHFFFAOYSA-N
XLogP3.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
CID 102347965
1-ethyl-2-thiophen-2-ylindole-3-carbaldehyde
CID 50742346
5-(2-ethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
CID 141257882
2-methoxy-3-thiophen-2-ylbenzaldehyde
CID 172649789
2-hydroxy-3-thiophen-2-ylbenzaldehyde
CID 53220277
3-thiophen-2-ylpyridine-2-carbaldehyde
CID 86594751
5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
CID 141257761
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291
but-1-yne;2-thiophen-2-ylthiophene
CID 174755152
3-(2-ethoxyphenyl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198776
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
thiophene-2-carbaldehyde;hydrobromide
CID 20535828

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde?
The IUPAC name of 1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde (CID 125456045) is 1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde.
What is the SMILES notation for 1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde?
The canonical SMILES for 1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde is CCn1ccc(-c2cccs2)c1C=O.
What is the InChIKey of 1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde?
The InChIKey is HFHLZEGQABQECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-2-12-6-5-9(10(12)8-13)11-4-3-7-14-11/h3-8H,2H2,1H3.
What are the key properties of 1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde?
1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde has a molecular weight of 205.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde is sourced from PubChem (CID 125456045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).