pyrrolidin-1-yl acetate;hydrochloride

C6H12ClNO2 — CID 69256605

IUPACpyrrolidin-1-yl acetate;hydrochloride
SMILESCC(=O)ON1CCCC1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-6(8)9-7-4-2-3-5-7;/h2-5H2,1H3;1H
InChIKeyFGYOXQLLLCDYOR-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.98
Rot. Bonds1

About pyrrolidin-1-yl acetate;hydrochloride

pyrrolidin-1-yl acetate;hydrochloride (PubChem CID 69256605) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is pyrrolidin-1-yl acetate;hydrochloride.

Molecular Properties

Compound Namepyrrolidin-1-yl acetate;hydrochloride
PubChem CID69256605
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Namepyrrolidin-1-yl acetate;hydrochloride
SMILESCC(=O)ON1CCCC1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-6(8)9-7-4-2-3-5-7;/h2-5H2,1H3;1H
InChIKeyFGYOXQLLLCDYOR-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl acetate;hydrochloride?
The IUPAC name of pyrrolidin-1-yl acetate;hydrochloride (CID 69256605) is pyrrolidin-1-yl acetate;hydrochloride.
What is the SMILES notation for pyrrolidin-1-yl acetate;hydrochloride?
The canonical SMILES for pyrrolidin-1-yl acetate;hydrochloride is CC(=O)ON1CCCC1.Cl.
What is the InChIKey of pyrrolidin-1-yl acetate;hydrochloride?
The InChIKey is FGYOXQLLLCDYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-6(8)9-7-4-2-3-5-7;/h2-5H2,1H3;1H.
What are the key properties of pyrrolidin-1-yl acetate;hydrochloride?
pyrrolidin-1-yl acetate;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl acetate;hydrochloride is sourced from PubChem (CID 69256605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).