[(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride

C11H21ClN2O — CID 130747829

IUPAC[(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCC1CC(C)CN1C(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-3-9-6-8(2)7-13(9)11(14)10-4-5-12-10;/h8-10,12H,3-7H2,1-2H3;1H/t8?,9?,10-;/m1./s1
InChIKeyUVUDTFFMURCMAO-ZSZPEYCFSA-N
MW232.75 g/mol
LogP1.42
Rot. Bonds2

About [(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride

[(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 130747829) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is [(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID130747829
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name[(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCC1CC(C)CN1C(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-3-9-6-8(2)7-13(9)11(14)10-4-5-12-10;/h8-10,12H,3-7H2,1-2H3;1H/t8?,9?,10-;/m1./s1
InChIKeyUVUDTFFMURCMAO-ZSZPEYCFSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethyl-2-methylmorpholin-4-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422854
1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 131036550
(2,5-dimethylpiperidin-1-yl)-(4-ethylpiperidin-2-yl)methanone
CID 114429194
[(2S)-pyrrolidin-2-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 104939658
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120793891
(2-ethylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831896
(5-ethyl-2-methylmorpholin-4-yl)-piperazin-2-ylmethanone
CID 63104526
(2-ethylpiperidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103793731
(2-ethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104912723
(2-ethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61154160
propan-2-yl 2-ethyl-4-methylpyrrolidine-1-carboxylate
CID 143813112
3-bromo-1-(2-ethyl-4-methylpyrrolidin-1-yl)prop-2-yn-1-one
CID 130870129

Frequently Asked Questions

What is the IUPAC name of [(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of [(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride (CID 130747829) is [(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for [(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride is CCC1CC(C)CN1C(=O)[C@H]1CCN1.Cl.
What is the InChIKey of [(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is UVUDTFFMURCMAO-ZSZPEYCFSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-3-9-6-8(2)7-13(9)11(14)10-4-5-12-10;/h8-10,12H,3-7H2,1-2H3;1H/t8?,9?,10-;/m1./s1.
What are the key properties of [(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride?
[(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-azetidin-2-yl]-(2-ethyl-4-methylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 130747829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).