2-pyrrolidin-3-yloxyethanol;hydrochloride

C6H14ClNO2 — CID 138991547

IUPAC2-pyrrolidin-3-yloxyethanol;hydrochloride
SMILESCl.OCCOC1CCNC1
InChIInChI=1S/C6H13NO2.ClH/c8-3-4-9-6-1-2-7-5-6;/h6-8H,1-5H2;1H
InChIKeyOOCUODIWYPPDJN-UHFFFAOYSA-N
MW167.64 g/mol
LogP-0.22
Rot. Bonds3

About 2-pyrrolidin-3-yloxyethanol;hydrochloride

2-pyrrolidin-3-yloxyethanol;hydrochloride (PubChem CID 138991547) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 2-pyrrolidin-3-yloxyethanol;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-yloxyethanol;hydrochloride
PubChem CID138991547
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name2-pyrrolidin-3-yloxyethanol;hydrochloride
SMILESCl.OCCOC1CCNC1
InChIInChI=1S/C6H13NO2.ClH/c8-3-4-9-6-1-2-7-5-6;/h6-8H,1-5H2;1H
InChIKeyOOCUODIWYPPDJN-UHFFFAOYSA-N
XLogP-0.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yloxyethanol;hydrochloride?
The IUPAC name of 2-pyrrolidin-3-yloxyethanol;hydrochloride (CID 138991547) is 2-pyrrolidin-3-yloxyethanol;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-yloxyethanol;hydrochloride?
The canonical SMILES for 2-pyrrolidin-3-yloxyethanol;hydrochloride is Cl.OCCOC1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-yloxyethanol;hydrochloride?
The InChIKey is OOCUODIWYPPDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c8-3-4-9-6-1-2-7-5-6;/h6-8H,1-5H2;1H.
What are the key properties of 2-pyrrolidin-3-yloxyethanol;hydrochloride?
2-pyrrolidin-3-yloxyethanol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yloxyethanol;hydrochloride is sourced from PubChem (CID 138991547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).