3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde

C15H9NO4S — CID 91535445

IUPAC3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1[nH]cc(C(=O)c2cccs2)c1C(=O)c1ccco1
InChIInChI=1S/C15H9NO4S/c17-8-10-13(15(19)11-3-1-5-20-11)9(7-16-10)14(18)12-4-2-6-21-12/h1-8,16H
InChIKeyBGOFLUCSVCHFMF-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.94
Rot. Bonds5

About 3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde

3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 91535445) has the molecular formula C15H9NO4S and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde
PubChem CID91535445
Molecular FormulaC15H9NO4S
Molecular Weight299.31 g/mol
Exact Mass299.03
IUPAC Name3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1[nH]cc(C(=O)c2cccs2)c1C(=O)c1ccco1
InChIInChI=1S/C15H9NO4S/c17-8-10-13(15(19)11-3-1-5-20-11)9(7-16-10)14(18)12-4-2-6-21-12/h1-8,16H
InChIKeyBGOFLUCSVCHFMF-UHFFFAOYSA-N
XLogP2.94
TPSA80.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde (CID 91535445) is 3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde is O=Cc1[nH]cc(C(=O)c2cccs2)c1C(=O)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is BGOFLUCSVCHFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO4S/c17-8-10-13(15(19)11-3-1-5-20-11)9(7-16-10)14(18)12-4-2-6-21-12/h1-8,16H.
What are the key properties of 3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde?
3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 299.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 91535445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).