2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride

C11H23Cl2N3O2 — CID 119858142

IUPAC2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
SMILESCNCC(=O)N1CCC(N2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C11H21N3O2.2ClH/c1-12-8-11(15)14-3-2-10(9-14)13-4-6-16-7-5-13;;/h10,12H,2-9H2,1H3;2*1H
InChIKeyGRYSCLHKGQIJMF-UHFFFAOYSA-N
MW300.23 g/mol
LogP-0.02
Rot. Bonds3

About 2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride

2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride (PubChem CID 119858142) has the molecular formula C11H23Cl2N3O2 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
PubChem CID119858142
Molecular FormulaC11H23Cl2N3O2
Molecular Weight300.23 g/mol
Exact Mass299.12
IUPAC Name2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
SMILESCNCC(=O)N1CCC(N2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C11H21N3O2.2ClH/c1-12-8-11(15)14-3-2-10(9-14)13-4-6-16-7-5-13;;/h10,12H,2-9H2,1H3;2*1H
InChIKeyGRYSCLHKGQIJMF-UHFFFAOYSA-N
XLogP-0.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63172093
2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
CID 119858160
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 79193090
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 79192941
(2S)-2-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 78944972
2,2-dimethyl-3-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 115428804
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(methylamino)ethanone
CID 129494766
1-(3-fluoropyrrolidin-1-yl)-2-(methylamino)ethanone
CID 121200892
2-(ethylamino)-2-methyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 63171741
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256
4-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]-4-oxobut-2-enoic acid
CID 76999792

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride (CID 119858142) is 2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride is CNCC(=O)N1CCC(N2CCOCC2)C1.Cl.Cl.
What is the InChIKey of 2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
The InChIKey is GRYSCLHKGQIJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2.2ClH/c1-12-8-11(15)14-3-2-10(9-14)13-4-6-16-7-5-13;;/h10,12H,2-9H2,1H3;2*1H.
What are the key properties of 2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride has a molecular weight of 300.23 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119858142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).