pyrrolidin-3-yl butanoate;hydrochloride

C8H16ClNO2 — CID 19596759

IUPACpyrrolidin-3-yl butanoate;hydrochloride
SMILESCCCC(=O)OC1CCNC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-3-8(10)11-7-4-5-9-6-7;/h7,9H,2-6H2,1H3;1H
InChIKeyCHRRWNBBGZMCJC-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.11
Rot. Bonds3

About pyrrolidin-3-yl butanoate;hydrochloride

pyrrolidin-3-yl butanoate;hydrochloride (PubChem CID 19596759) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is pyrrolidin-3-yl butanoate;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-3-yl butanoate;hydrochloride
PubChem CID19596759
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namepyrrolidin-3-yl butanoate;hydrochloride
SMILESCCCC(=O)OC1CCNC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-3-8(10)11-7-4-5-9-6-7;/h7,9H,2-6H2,1H3;1H
InChIKeyCHRRWNBBGZMCJC-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.11
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;hydrochloride?
The IUPAC name of pyrrolidin-3-yl butanoate;hydrochloride (CID 19596759) is pyrrolidin-3-yl butanoate;hydrochloride.
What is the SMILES notation for pyrrolidin-3-yl butanoate;hydrochloride?
The canonical SMILES for pyrrolidin-3-yl butanoate;hydrochloride is CCCC(=O)OC1CCNC1.Cl.
What is the InChIKey of pyrrolidin-3-yl butanoate;hydrochloride?
The InChIKey is CHRRWNBBGZMCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-2-3-8(10)11-7-4-5-9-6-7;/h7,9H,2-6H2,1H3;1H.
What are the key properties of pyrrolidin-3-yl butanoate;hydrochloride?
pyrrolidin-3-yl butanoate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.11, 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;hydrochloride is sourced from PubChem (CID 19596759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).