(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride

C11H21ClN2O — CID 130747889

IUPAC(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
SMILESCC1CCC(C)N1C(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-8-5-6-9(2)13(8)11(14)10-4-3-7-12-10;/h8-10,12H,3-7H2,1-2H3;1H/t8?,9?,10-;/m0./s1
InChIKeyUNLJJLGAGRADFH-IMUQEULPSA-N
MW232.75 g/mol
LogP1.56
Rot. Bonds1

About (2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride

(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride (PubChem CID 130747889) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is (2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
PubChem CID130747889
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
SMILESCC1CCC(C)N1C(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-8-5-6-9(2)13(8)11(14)10-4-3-7-12-10;/h8-10,12H,3-7H2,1-2H3;1H/t8?,9?,10-;/m0./s1
InChIKeyUNLJJLGAGRADFH-IMUQEULPSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-azetidin-2-yl]-[(2S,6R)-2,6-dimethylpiperazin-1-yl]methanone
CID 130636739
(2,6-dimethylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422691
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
2-methyl-3-[(2S)-pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 63793043
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(2,4-dimethylpiperidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 62331219
(2,5-dimethylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104914142
(2,5-dimethylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
CID 104914141
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
(2,4-dimethylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 103814614
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The IUPAC name of (2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride (CID 130747889) is (2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride.
What is the SMILES notation for (2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The canonical SMILES for (2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride is CC1CCC(C)N1C(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
The InChIKey is UNLJJLGAGRADFH-IMUQEULPSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-8-5-6-9(2)13(8)11(14)10-4-3-7-12-10;/h8-10,12H,3-7H2,1-2H3;1H/t8?,9?,10-;/m0./s1.
What are the key properties of (2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride?
(2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrrolidin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride is sourced from PubChem (CID 130747889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).