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

C11H15N3O — CID 71643824

IUPAC2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone
SMILESN[C@@H]1CCN(CC(=O)c2ccccn2)C1
InChIInChI=1S/C11H15N3O/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/t9-/m1/s1
InChIKeySIBPXTAUARLUHY-SECBINFHSA-N
MW205.26 g/mol
LogP0.30
Rot. Bonds3

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

2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone (PubChem CID 71643824) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone
PubChem CID71643824
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone
SMILESN[C@@H]1CCN(CC(=O)c2ccccn2)C1
InChIInChI=1S/C11H15N3O/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/t9-/m1/s1
InChIKeySIBPXTAUARLUHY-SECBINFHSA-N
XLogP0.30
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride
CID 71643823
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
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975
[(3R)-3-aminopyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 53256401
2-(3-aminopyrrolidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 62068152
2-(3-aminopyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62069531
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71643827
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
2-(3-aminopyrrolidin-1-yl)-1-(4-ethylphenyl)ethanone
CID 55029859
2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone
CID 97165412

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone (CID 71643824) is 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone is N[C@@H]1CCN(CC(=O)c2ccccn2)C1.
What is the InChIKey of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone?
The InChIKey is SIBPXTAUARLUHY-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O/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/t9-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone?
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone has a molecular weight of 205.26 g/mol, XLogP of 0.30, 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 is sourced from PubChem (CID 71643824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).