1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride

C7H15ClN2O — CID 172646265

IUPAC1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCN[C@@H]1CCN(C(C)=O)C1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(10)9-4-3-7(5-9)8-2;/h7-8H,3-5H2,1-2H3;1H/t7-;/m1./s1
InChIKeyQETGXOWBOQBILZ-OGFXRTJISA-N
MW178.66 g/mol
LogP0.25
Rot. Bonds1

About 1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride

1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride (PubChem CID 172646265) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is 1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
PubChem CID172646265
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
SMILESCN[C@@H]1CCN(C(C)=O)C1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-6(10)9-4-3-7(5-9)8-2;/h7-8H,3-5H2,1-2H3;1H/t7-;/m1./s1
InChIKeyQETGXOWBOQBILZ-OGFXRTJISA-N
XLogP0.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
1-[3-(tert-butylamino)pyrrolidin-1-yl]ethanone
CID 58945224
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
N-(1-acetylpyrrolidin-3-yl)cyclopentanecarboxamide
CID 110871331
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
3-(1-acetylpiperidin-4-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492272
[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl] acetate
CID 121245576
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
3-(methylamino)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 83697103
1-[(3S)-3-(methylamino)pyrrolidin-1-yl]butan-1-one
CID 172646211

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride (CID 172646265) is 1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride is CN[C@@H]1CCN(C(C)=O)C1.Cl.
What is the InChIKey of 1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride?
The InChIKey is QETGXOWBOQBILZ-OGFXRTJISA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-6(10)9-4-3-7(5-9)8-2;/h7-8H,3-5H2,1-2H3;1H/t7-;/m1./s1.
What are the key properties of 1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride?
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 172646265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).