(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride

C11H21ClN2O2 — CID 119669803

IUPAC(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCC1CN(C(=O)C2CCNC2)CC(C)O1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-8-6-13(7-9(2)15-8)11(14)10-3-4-12-5-10;/h8-10,12H,3-7H2,1-2H3;1H
InChIKeyXSSMSRWIHKTRPU-UHFFFAOYSA-N
MW248.75 g/mol
LogP0.65
Rot. Bonds1

About (2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride

(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride (PubChem CID 119669803) has the molecular formula C11H21ClN2O2 and a molecular weight of 248.75 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride
PubChem CID119669803
Molecular FormulaC11H21ClN2O2
Molecular Weight248.75 g/mol
Exact Mass248.13
IUPAC Name(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride
SMILESCC1CN(C(=O)C2CCNC2)CC(C)O1.Cl
InChIInChI=1S/C11H20N2O2.ClH/c1-8-6-13(7-9(2)15-8)11(14)10-3-4-12-5-10;/h8-10,12H,3-7H2,1-2H3;1H
InChIKeyXSSMSRWIHKTRPU-UHFFFAOYSA-N
XLogP0.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.75
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone
CID 81123196
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-piperidin-3-ylmethanone
CID 103840886
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119730759
(2-ethyl-6-methylmorpholin-4-yl)-piperidin-3-ylmethanone
CID 119304830
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
(3-tert-butylazetidin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 164785278
(3,4-dimethoxypyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 103533146
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
N-[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119744250
[(3S,4S)-3-(ethoxymethyl)-4-methylpyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 129499600

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride (CID 119669803) is (2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride is CC1CN(C(=O)C2CCNC2)CC(C)O1.Cl.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
The InChIKey is XSSMSRWIHKTRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.ClH/c1-8-6-13(7-9(2)15-8)11(14)10-3-4-12-5-10;/h8-10,12H,3-7H2,1-2H3;1H.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride?
(2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride has a molecular weight of 248.75 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-pyrrolidin-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119669803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).