pyrrolidin-3-yl acetate

C6H11NO2 — CID 15046662

IUPACpyrrolidin-3-yl acetate
SMILESCC(=O)OC1CCNC1
InChIInChI=1S/C6H11NO2/c1-5(8)9-6-2-3-7-4-6/h6-7H,2-4H2,1H3
InChIKeyAKCMCFPQVUTWFW-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds1

About pyrrolidin-3-yl acetate

pyrrolidin-3-yl acetate (PubChem CID 15046662) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is pyrrolidin-3-yl acetate.

Molecular Properties

Compound Namepyrrolidin-3-yl acetate
PubChem CID15046662
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namepyrrolidin-3-yl acetate
SMILESCC(=O)OC1CCNC1
InChIInChI=1S/C6H11NO2/c1-5(8)9-6-2-3-7-4-6/h6-7H,2-4H2,1H3
InChIKeyAKCMCFPQVUTWFW-UHFFFAOYSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl acetate?
The IUPAC name of pyrrolidin-3-yl acetate (CID 15046662) is pyrrolidin-3-yl acetate.
What is the SMILES notation for pyrrolidin-3-yl acetate?
The canonical SMILES for pyrrolidin-3-yl acetate is CC(=O)OC1CCNC1.
What is the InChIKey of pyrrolidin-3-yl acetate?
The InChIKey is AKCMCFPQVUTWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)9-6-2-3-7-4-6/h6-7H,2-4H2,1H3.
What are the key properties of pyrrolidin-3-yl acetate?
pyrrolidin-3-yl acetate has a molecular weight of 129.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl acetate is sourced from PubChem (CID 15046662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).