4-ethyl-1H-pyrrole-2-carbaldehyde

C7H9NO — CID 15260370

IUPAC4-ethyl-1H-pyrrole-2-carbaldehyde
SMILESCCc1c[nH]c(C=O)c1
InChIInChI=1S/C7H9NO/c1-2-6-3-7(5-9)8-4-6/h3-5,8H,2H2,1H3
InChIKeyMDFRGUIAJMMLHO-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.39
Rot. Bonds2

About 4-ethyl-1H-pyrrole-2-carbaldehyde

4-ethyl-1H-pyrrole-2-carbaldehyde (PubChem CID 15260370) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4-ethyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-1H-pyrrole-2-carbaldehyde
PubChem CID15260370
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4-ethyl-1H-pyrrole-2-carbaldehyde
SMILESCCc1c[nH]c(C=O)c1
InChIInChI=1S/C7H9NO/c1-2-6-3-7(5-9)8-4-6/h3-5,8H,2H2,1H3
InChIKeyMDFRGUIAJMMLHO-UHFFFAOYSA-N
XLogP1.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-ethyl-1H-pyrrole-2-carbaldehyde (CID 15260370) is 4-ethyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-ethyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-ethyl-1H-pyrrole-2-carbaldehyde is CCc1c[nH]c(C=O)c1.
What is the InChIKey of 4-ethyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is MDFRGUIAJMMLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-6-3-7(5-9)8-4-6/h3-5,8H,2H2,1H3.
What are the key properties of 4-ethyl-1H-pyrrole-2-carbaldehyde?
4-ethyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 123.15 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 15260370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).