5-ethoxy-2,3-dihydro-1H-pyrrole

C6H11NO — CID 15426392

IUPAC5-ethoxy-2,3-dihydro-1H-pyrrole
SMILESCCOC1=CCCN1
InChIInChI=1S/C6H11NO/c1-2-8-6-4-3-5-7-6/h4,7H,2-3,5H2,1H3
InChIKeyXYXUHUUPHJGLHP-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.86
Rot. Bonds2

About 5-ethoxy-2,3-dihydro-1H-pyrrole

5-ethoxy-2,3-dihydro-1H-pyrrole (PubChem CID 15426392) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 5-ethoxy-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-ethoxy-2,3-dihydro-1H-pyrrole
PubChem CID15426392
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name5-ethoxy-2,3-dihydro-1H-pyrrole
SMILESCCOC1=CCCN1
InChIInChI=1S/C6H11NO/c1-2-8-6-4-3-5-7-6/h4,7H,2-3,5H2,1H3
InChIKeyXYXUHUUPHJGLHP-UHFFFAOYSA-N
XLogP0.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-ethoxy-2,3-dihydro-1H-pyrrole (CID 15426392) is 5-ethoxy-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-ethoxy-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-ethoxy-2,3-dihydro-1H-pyrrole is CCOC1=CCCN1.
What is the InChIKey of 5-ethoxy-2,3-dihydro-1H-pyrrole?
The InChIKey is XYXUHUUPHJGLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-8-6-4-3-5-7-6/h4,7H,2-3,5H2,1H3.
What are the key properties of 5-ethoxy-2,3-dihydro-1H-pyrrole?
5-ethoxy-2,3-dihydro-1H-pyrrole has a molecular weight of 113.16 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 15426392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).