5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde

C10H9NOS — CID 58795721

IUPAC5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(Cc2cccs2)[nH]1
InChIInChI=1S/C10H9NOS/c12-7-9-4-3-8(11-9)6-10-2-1-5-13-10/h1-5,7,11H,6H2
InChIKeySQCRWYWDZBCRPY-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.48
Rot. Bonds3

About 5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde

5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 58795721) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde
PubChem CID58795721
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC Name5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(Cc2cccs2)[nH]1
InChIInChI=1S/C10H9NOS/c12-7-9-4-3-8(11-9)6-10-2-1-5-13-10/h1-5,7,11H,6H2
InChIKeySQCRWYWDZBCRPY-UHFFFAOYSA-N
XLogP2.48
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde (CID 58795721) is 5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(Cc2cccs2)[nH]1.
What is the InChIKey of 5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is SQCRWYWDZBCRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-7-9-4-3-8(11-9)6-10-2-1-5-13-10/h1-5,7,11H,6H2.
What are the key properties of 5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde?
5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 191.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 58795721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).