4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde

C8H11NO — CID 83668756

IUPAC4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde
SMILESCCc1cc(C=O)[nH]c1C
InChIInChI=1S/C8H11NO/c1-3-7-4-8(5-10)9-6(7)2/h4-5,9H,3H2,1-2H3
InChIKeyGNSWPSFDMVTASB-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.70
Rot. Bonds2

About 4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde

4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde (PubChem CID 83668756) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde
PubChem CID83668756
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde
SMILESCCc1cc(C=O)[nH]c1C
InChIInChI=1S/C8H11NO/c1-3-7-4-8(5-10)9-6(7)2/h4-5,9H,3H2,1-2H3
InChIKeyGNSWPSFDMVTASB-UHFFFAOYSA-N
XLogP1.70
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.70
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-5-methyl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde (CID 83668756) is 4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde is CCc1cc(C=O)[nH]c1C.
What is the InChIKey of 4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde?
The InChIKey is GNSWPSFDMVTASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-7-4-8(5-10)9-6(7)2/h4-5,9H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde?
4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde has a molecular weight of 137.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 83668756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).