[(3R)-5-oxopyrrolidin-3-yl] formate

C5H7NO3 — CID 141337301

IUPAC[(3R)-5-oxopyrrolidin-3-yl] formate
SMILESO=CO[C@H]1CNC(=O)C1
InChIInChI=1S/C5H7NO3/c7-3-9-4-1-5(8)6-2-4/h3-4H,1-2H2,(H,6,8)/t4-/m1/s1
InChIKeyPYNHQLDYFKNNEF-SCSAIBSYSA-N
MW129.12 g/mol
LogP-0.95
Rot. Bonds2

About [(3R)-5-oxopyrrolidin-3-yl] formate

[(3R)-5-oxopyrrolidin-3-yl] formate (PubChem CID 141337301) has the molecular formula C5H7NO3 and a molecular weight of 129.12 g/mol. Its IUPAC name is [(3R)-5-oxopyrrolidin-3-yl] formate.

Molecular Properties

Compound Name[(3R)-5-oxopyrrolidin-3-yl] formate
PubChem CID141337301
Molecular FormulaC5H7NO3
Molecular Weight129.12 g/mol
Exact Mass129.04
IUPAC Name[(3R)-5-oxopyrrolidin-3-yl] formate
SMILESO=CO[C@H]1CNC(=O)C1
InChIInChI=1S/C5H7NO3/c7-3-9-4-1-5(8)6-2-4/h3-4H,1-2H2,(H,6,8)/t4-/m1/s1
InChIKeyPYNHQLDYFKNNEF-SCSAIBSYSA-N
XLogP-0.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3R)-5-oxopyrrolidin-3-yl] formate?
The IUPAC name of [(3R)-5-oxopyrrolidin-3-yl] formate (CID 141337301) is [(3R)-5-oxopyrrolidin-3-yl] formate.
What is the SMILES notation for [(3R)-5-oxopyrrolidin-3-yl] formate?
The canonical SMILES for [(3R)-5-oxopyrrolidin-3-yl] formate is O=CO[C@H]1CNC(=O)C1.
What is the InChIKey of [(3R)-5-oxopyrrolidin-3-yl] formate?
The InChIKey is PYNHQLDYFKNNEF-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H7NO3/c7-3-9-4-1-5(8)6-2-4/h3-4H,1-2H2,(H,6,8)/t4-/m1/s1.
What are the key properties of [(3R)-5-oxopyrrolidin-3-yl] formate?
[(3R)-5-oxopyrrolidin-3-yl] formate has a molecular weight of 129.12 g/mol, XLogP of -0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-5-oxopyrrolidin-3-yl] formate is sourced from PubChem (CID 141337301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).