2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride

C11H22ClNO — CID 126845736

IUPAC2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride
SMILESC1CNC(CCC2CCOCC2)C1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-2-11(12-7-1)4-3-10-5-8-13-9-6-10;/h10-12H,1-9H2;1H
InChIKeyNAOPPPQTLUURDT-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.37
Rot. Bonds3

About 2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride

2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride (PubChem CID 126845736) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride
PubChem CID126845736
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride
SMILESC1CNC(CCC2CCOCC2)C1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-2-11(12-7-1)4-3-10-5-8-13-9-6-10;/h10-12H,1-9H2;1H
InChIKeyNAOPPPQTLUURDT-UHFFFAOYSA-N
XLogP2.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845727
2-(2-cyclopropylethyl)pyrrolidine
CID 23166213
2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210453
4-(2-pyrrolidin-2-ylethyl)piperidine
CID 67721299
3-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845728
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
3-(2-cyclopentylethyl)morpholine
CID 116928258
2-(oxan-4-ylmethoxymethyl)piperidine
CID 62383000
3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride
CID 126845734
(2R)-2-(oxolan-3-ylmethoxymethyl)pyrrolidine
CID 102820061
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]oxane-4-sulfonamide
CID 104972699
N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine
CID 86323616

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride?
The IUPAC name of 2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride (CID 126845736) is 2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride is C1CNC(CCC2CCOCC2)C1.Cl.
What is the InChIKey of 2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride?
The InChIKey is NAOPPPQTLUURDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-2-11(12-7-1)4-3-10-5-8-13-9-6-10;/h10-12H,1-9H2;1H.
What are the key properties of 2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride?
2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 126845736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).