1-ethoxy-2,3-dihydropyrrole

C6H11NO — CID 69085960

IUPAC1-ethoxy-2,3-dihydropyrrole
SMILESCCON1C=CCC1
InChIInChI=1S/C6H11NO/c1-2-8-7-5-3-4-6-7/h3,5H,2,4,6H2,1H3
InChIKeyWMYAWJFYYJMMGP-UHFFFAOYSA-N
MW113.16 g/mol
LogP1.16
Rot. Bonds2

About 1-ethoxy-2,3-dihydropyrrole

1-ethoxy-2,3-dihydropyrrole (PubChem CID 69085960) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-ethoxy-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-ethoxy-2,3-dihydropyrrole
PubChem CID69085960
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-ethoxy-2,3-dihydropyrrole
SMILESCCON1C=CCC1
InChIInChI=1S/C6H11NO/c1-2-8-7-5-3-4-6-7/h3,5H,2,4,6H2,1H3
InChIKeyWMYAWJFYYJMMGP-UHFFFAOYSA-N
XLogP1.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethoxy-2,3-dihydropyrrole 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 1-ethoxy-2,3-dihydropyrrole?
The IUPAC name of 1-ethoxy-2,3-dihydropyrrole (CID 69085960) is 1-ethoxy-2,3-dihydropyrrole.
What is the SMILES notation for 1-ethoxy-2,3-dihydropyrrole?
The canonical SMILES for 1-ethoxy-2,3-dihydropyrrole is CCON1C=CCC1.
What is the InChIKey of 1-ethoxy-2,3-dihydropyrrole?
The InChIKey is WMYAWJFYYJMMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-8-7-5-3-4-6-7/h3,5H,2,4,6H2,1H3.
What are the key properties of 1-ethoxy-2,3-dihydropyrrole?
1-ethoxy-2,3-dihydropyrrole has a molecular weight of 113.16 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-dihydropyrrole is sourced from PubChem (CID 69085960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).