ethoxyethane;1H-pyrrole-2-carbaldehyde

C13H25NO3 — CID 174491335

IUPACethoxyethane;1H-pyrrole-2-carbaldehyde
SMILESCCOCC.CCOCC.O=Cc1ccc[nH]1
InChIInChI=1S/C5H5NO.2C4H10O/c7-4-5-2-1-3-6-5;2*1-3-5-4-2/h1-4,6H;2*3-4H2,1-2H3
InChIKeyBULXNHNUSHDOSA-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.91
Rot. Bonds5

About ethoxyethane;1H-pyrrole-2-carbaldehyde

ethoxyethane;1H-pyrrole-2-carbaldehyde (PubChem CID 174491335) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethoxyethane;1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Nameethoxyethane;1H-pyrrole-2-carbaldehyde
PubChem CID174491335
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethoxyethane;1H-pyrrole-2-carbaldehyde
SMILESCCOCC.CCOCC.O=Cc1ccc[nH]1
InChIInChI=1S/C5H5NO.2C4H10O/c7-4-5-2-1-3-6-5;2*1-3-5-4-2/h1-4,6H;2*3-4H2,1-2H3
InChIKeyBULXNHNUSHDOSA-UHFFFAOYSA-N
XLogP2.91
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethoxyethane;1H-pyrrole-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1H-pyrrole-2-carbaldehyde?
The IUPAC name of ethoxyethane;1H-pyrrole-2-carbaldehyde (CID 174491335) is ethoxyethane;1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for ethoxyethane;1H-pyrrole-2-carbaldehyde?
The canonical SMILES for ethoxyethane;1H-pyrrole-2-carbaldehyde is CCOCC.CCOCC.O=Cc1ccc[nH]1.
What is the InChIKey of ethoxyethane;1H-pyrrole-2-carbaldehyde?
The InChIKey is BULXNHNUSHDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.2C4H10O/c7-4-5-2-1-3-6-5;2*1-3-5-4-2/h1-4,6H;2*3-4H2,1-2H3.
What are the key properties of ethoxyethane;1H-pyrrole-2-carbaldehyde?
ethoxyethane;1H-pyrrole-2-carbaldehyde has a molecular weight of 243.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 174491335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).