2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride

C11H16ClN3O — CID 71643823

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride
SMILESCl.N[C@@H]1CCN(CC(=O)c2ccccn2)C1
InChIInChI=1S/C11H15N3O.ClH/c12-9-4-6-14(7-9)8-11(15)10-3-1-2-5-13-10;/h1-3,5,9H,4,6-8,12H2;1H/t9-;/m1./s1
InChIKeyIQQMUMMIDIHMPS-SBSPUUFOSA-N
MW241.72 g/mol
LogP0.72
Rot. Bonds3

About 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride

2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride (PubChem CID 71643823) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride
PubChem CID71643823
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride
SMILESCl.N[C@@H]1CCN(CC(=O)c2ccccn2)C1
InChIInChI=1S/C11H15N3O.ClH/c12-9-4-6-14(7-9)8-11(15)10-3-1-2-5-13-10;/h1-3,5,9H,4,6-8,12H2;1H/t9-;/m1./s1
InChIKeyIQQMUMMIDIHMPS-SBSPUUFOSA-N
XLogP0.72
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71643824
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71649464
2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone
CID 71644010
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 71649612
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71643827
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119933615
2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 55029859

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride (CID 71643823) is 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride is Cl.N[C@@H]1CCN(CC(=O)c2ccccn2)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride?
The InChIKey is IQQMUMMIDIHMPS-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c12-9-4-6-14(7-9)8-11(15)10-3-1-2-5-13-10;/h1-3,5,9H,4,6-8,12H2;1H/t9-;/m1./s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride?
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride is sourced from PubChem (CID 71643823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).