ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate

C10H9NO3S — CID 1448020

IUPACethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2cc(C=O)sc2[nH]1
InChIInChI=1S/C10H9NO3S/c1-2-14-10(13)8-4-6-3-7(5-12)15-9(6)11-8/h3-5,11H,2H2,1H3
InChIKeyQXSJWEIPRFFMHV-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.22
Rot. Bonds3

About ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate

ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate (PubChem CID 1448020) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
PubChem CID1448020
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Nameethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2cc(C=O)sc2[nH]1
InChIInChI=1S/C10H9NO3S/c1-2-14-10(13)8-4-6-3-7(5-12)15-9(6)11-8/h3-5,11H,2H2,1H3
InChIKeyQXSJWEIPRFFMHV-UHFFFAOYSA-N
XLogP2.22
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
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 ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate (CID 1448020) is ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2cc(C=O)sc2[nH]1.
What is the InChIKey of ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate?
The InChIKey is QXSJWEIPRFFMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-2-14-10(13)8-4-6-3-7(5-12)15-9(6)11-8/h3-5,11H,2H2,1H3.
What are the key properties of ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate?
ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formyl-6H-thieno[2,3-b]pyrrole-5-carboxylate is sourced from PubChem (CID 1448020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).