2,5-dihydropyrrol-1-yl formate

C5H7NO2 — CID 142685425

IUPAC2,5-dihydropyrrol-1-yl formate
SMILESO=CON1CC=CC1
InChIInChI=1S/C5H7NO2/c7-5-8-6-3-1-2-4-6/h1-2,5H,3-4H2
InChIKeyCZEJMZVSRHHRFN-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.05
Rot. Bonds2

About 2,5-dihydropyrrol-1-yl formate

2,5-dihydropyrrol-1-yl formate (PubChem CID 142685425) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-yl formate.

Molecular Properties

Compound Name2,5-dihydropyrrol-1-yl formate
PubChem CID142685425
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name2,5-dihydropyrrol-1-yl formate
SMILESO=CON1CC=CC1
InChIInChI=1S/C5H7NO2/c7-5-8-6-3-1-2-4-6/h1-2,5H,3-4H2
InChIKeyCZEJMZVSRHHRFN-UHFFFAOYSA-N
XLogP-0.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrol-1-yl formate?
The IUPAC name of 2,5-dihydropyrrol-1-yl formate (CID 142685425) is 2,5-dihydropyrrol-1-yl formate.
What is the SMILES notation for 2,5-dihydropyrrol-1-yl formate?
The canonical SMILES for 2,5-dihydropyrrol-1-yl formate is O=CON1CC=CC1.
What is the InChIKey of 2,5-dihydropyrrol-1-yl formate?
The InChIKey is CZEJMZVSRHHRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-5-8-6-3-1-2-4-6/h1-2,5H,3-4H2.
What are the key properties of 2,5-dihydropyrrol-1-yl formate?
2,5-dihydropyrrol-1-yl formate has a molecular weight of 113.12 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrol-1-yl formate is sourced from PubChem (CID 142685425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).