5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde

C14H15NO — CID 84679809

IUPAC5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde
SMILESCCc1cc(-c2ccccc2C)c(C=O)[nH]1
InChIInChI=1S/C14H15NO/c1-3-11-8-13(14(9-16)15-11)12-7-5-4-6-10(12)2/h4-9,15H,3H2,1-2H3
InChIKeyOINXYRSIYNELJH-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.37
Rot. Bonds3

About 5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde

5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 84679809) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde
PubChem CID84679809
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde
SMILESCCc1cc(-c2ccccc2C)c(C=O)[nH]1
InChIInChI=1S/C14H15NO/c1-3-11-8-13(14(9-16)15-11)12-7-5-4-6-10(12)2/h4-9,15H,3H2,1-2H3
InChIKeyOINXYRSIYNELJH-UHFFFAOYSA-N
XLogP3.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.37
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 5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde (CID 84679809) is 5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde is CCc1cc(-c2ccccc2C)c(C=O)[nH]1.
What is the InChIKey of 5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is OINXYRSIYNELJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-3-11-8-13(14(9-16)15-11)12-7-5-4-6-10(12)2/h4-9,15H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde?
5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 213.28 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-methylphenyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 84679809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).