3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride

C11H22ClNO — CID 126844630

IUPAC3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride
SMILESC1CCC(CCC2CCNC2)OC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-2-8-13-11(3-1)5-4-10-6-7-12-9-10;/h10-12H,1-9H2;1H
InChIKeyZKIYIOGMXDSIEG-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.37
Rot. Bonds3

About 3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride

3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride (PubChem CID 126844630) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride
PubChem CID126844630
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride
SMILESC1CCC(CCC2CCNC2)OC1.Cl
InChIInChI=1S/C11H21NO.ClH/c1-2-8-13-11(3-1)5-4-10-6-7-12-9-10;/h10-12H,1-9H2;1H
InChIKeyZKIYIOGMXDSIEG-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

3-[2-(oxolan-2-yl)ethyl]pyrrolidine
CID 104680566
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
N-(oxan-2-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006474
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
3-(2-cyclohexylethyl)pyrrolidine
CID 53409214
3-(oxolan-2-ylmethylsulfanylmethyl)pyrrolidine
CID 106495448
3-(oxolan-2-ylmethoxymethyl)pyrrolidine
CID 62372457
1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
CID 120721075
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
N-(2-pyrrolidin-3-ylethyl)oxane-2-carboxamide
CID 63629072
4-(oxolan-2-yl)-1-piperidin-3-ylbutan-2-one
CID 116564211
N-methyl-N-[2-(oxolan-2-yl)ethyl]-2-piperidin-4-ylethanamine
CID 66272160

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride?
The IUPAC name of 3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride (CID 126844630) is 3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride is C1CCC(CCC2CCNC2)OC1.Cl.
What is the InChIKey of 3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride?
The InChIKey is ZKIYIOGMXDSIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-2-8-13-11(3-1)5-4-10-6-7-12-9-10;/h10-12H,1-9H2;1H.
What are the key properties of 3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride?
3-[2-(oxan-2-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 3-[2-(oxan-2-yl)ethyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 126844630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).