pyrrolidin-3-yl butanoate

C8H15NO2 — CID 15399763

IUPACpyrrolidin-3-yl butanoate
SMILESCCCC(=O)OC1CCNC1
InChIInChI=1S/C8H15NO2/c1-2-3-8(10)11-7-4-5-9-6-7/h7,9H,2-6H2,1H3
InChIKeyAMBFAHQJLWMXNZ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds3

About pyrrolidin-3-yl butanoate

pyrrolidin-3-yl butanoate (PubChem CID 15399763) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is pyrrolidin-3-yl butanoate.

Molecular Properties

Compound Namepyrrolidin-3-yl butanoate
PubChem CID15399763
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namepyrrolidin-3-yl butanoate
SMILESCCCC(=O)OC1CCNC1
InChIInChI=1S/C8H15NO2/c1-2-3-8(10)11-7-4-5-9-6-7/h7,9H,2-6H2,1H3
InChIKeyAMBFAHQJLWMXNZ-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl butanoate?
The IUPAC name of pyrrolidin-3-yl butanoate (CID 15399763) is pyrrolidin-3-yl butanoate.
What is the SMILES notation for pyrrolidin-3-yl butanoate?
The canonical SMILES for pyrrolidin-3-yl butanoate is CCCC(=O)OC1CCNC1.
What is the InChIKey of pyrrolidin-3-yl butanoate?
The InChIKey is AMBFAHQJLWMXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-8(10)11-7-4-5-9-6-7/h7,9H,2-6H2,1H3.
What are the key properties of pyrrolidin-3-yl butanoate?
pyrrolidin-3-yl butanoate has a molecular weight of 157.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl butanoate is sourced from PubChem (CID 15399763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).