2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde

C10H8N2O2 — CID 22104257

IUPAC2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde
SMILESO=CC1(C2(C=O)C=CC=N2)C=CC=N1
InChIInChI=1S/C10H8N2O2/c13-7-9(3-1-5-11-9)10(8-14)4-2-6-12-10/h1-8H
InChIKeyYKPDQIZBNJHCBN-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.14
Rot. Bonds3

About 2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde

2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde (PubChem CID 22104257) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde
PubChem CID22104257
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde
SMILESO=CC1(C2(C=O)C=CC=N2)C=CC=N1
InChIInChI=1S/C10H8N2O2/c13-7-9(3-1-5-11-9)10(8-14)4-2-6-12-10/h1-8H
InChIKeyYKPDQIZBNJHCBN-UHFFFAOYSA-N
XLogP0.14
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.14
H-Bond Donors ≤ 50
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 2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde?
The IUPAC name of 2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde (CID 22104257) is 2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde?
The canonical SMILES for 2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde is O=CC1(C2(C=O)C=CC=N2)C=CC=N1.
What is the InChIKey of 2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde?
The InChIKey is YKPDQIZBNJHCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-7-9(3-1-5-11-9)10(8-14)4-2-6-12-10/h1-8H.
What are the key properties of 2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde?
2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde has a molecular weight of 188.19 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formylpyrrol-2-yl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 22104257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).