1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde

C11H11NOS — CID 62842989

IUPAC1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde
SMILESCC(c1ccsc1)n1cccc1C=O
InChIInChI=1S/C11H11NOS/c1-9(10-4-6-14-8-10)12-5-2-3-11(12)7-13/h2-9H,1H3
InChIKeyPADMBLJJUPAJRE-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.97
Rot. Bonds3

About 1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde

1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde (PubChem CID 62842989) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde
PubChem CID62842989
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde
SMILESCC(c1ccsc1)n1cccc1C=O
InChIInChI=1S/C11H11NOS/c1-9(10-4-6-14-8-10)12-5-2-3-11(12)7-13/h2-9H,1H3
InChIKeyPADMBLJJUPAJRE-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde (CID 62842989) is 1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde is CC(c1ccsc1)n1cccc1C=O.
What is the InChIKey of 1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde?
The InChIKey is PADMBLJJUPAJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-9(10-4-6-14-8-10)12-5-2-3-11(12)7-13/h2-9H,1H3.
What are the key properties of 1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde?
1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde has a molecular weight of 205.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thiophen-3-ylethyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 62842989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).