1-ethyl-2-methylpyrrole-3-carbaldehyde

C8H11NO — CID 66485491

IUPAC1-ethyl-2-methylpyrrole-3-carbaldehyde
SMILESCCn1ccc(C=O)c1C
InChIInChI=1S/C8H11NO/c1-3-9-5-4-8(6-10)7(9)2/h4-6H,3H2,1-2H3
InChIKeyHZBBAFPLQXEURR-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.63
Rot. Bonds2

About 1-ethyl-2-methylpyrrole-3-carbaldehyde

1-ethyl-2-methylpyrrole-3-carbaldehyde (PubChem CID 66485491) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-ethyl-2-methylpyrrole-3-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-2-methylpyrrole-3-carbaldehyde
PubChem CID66485491
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-ethyl-2-methylpyrrole-3-carbaldehyde
SMILESCCn1ccc(C=O)c1C
InChIInChI=1S/C8H11NO/c1-3-9-5-4-8(6-10)7(9)2/h4-6H,3H2,1-2H3
InChIKeyHZBBAFPLQXEURR-UHFFFAOYSA-N
XLogP1.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylpyrrole-3-carbaldehyde?
The IUPAC name of 1-ethyl-2-methylpyrrole-3-carbaldehyde (CID 66485491) is 1-ethyl-2-methylpyrrole-3-carbaldehyde.
What is the SMILES notation for 1-ethyl-2-methylpyrrole-3-carbaldehyde?
The canonical SMILES for 1-ethyl-2-methylpyrrole-3-carbaldehyde is CCn1ccc(C=O)c1C.
What is the InChIKey of 1-ethyl-2-methylpyrrole-3-carbaldehyde?
The InChIKey is HZBBAFPLQXEURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-3-9-5-4-8(6-10)7(9)2/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylpyrrole-3-carbaldehyde?
1-ethyl-2-methylpyrrole-3-carbaldehyde has a molecular weight of 137.18 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylpyrrole-3-carbaldehyde is sourced from PubChem (CID 66485491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).