1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone

C12H15ClN2O — CID 62504630

IUPAC1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
SMILESNC1CCN(C(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C12H15ClN2O/c13-10-3-1-2-9(6-10)7-12(16)15-5-4-11(14)8-15/h1-3,6,11H,4-5,7-8,14H2
InChIKeyAYPSTONLESTKPI-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.44
Rot. Bonds2

About 1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone

1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone (PubChem CID 62504630) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
PubChem CID62504630
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
SMILESNC1CCN(C(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C12H15ClN2O/c13-10-3-1-2-9(6-10)7-12(16)15-5-4-11(14)8-15/h1-3,6,11H,4-5,7-8,14H2
InChIKeyAYPSTONLESTKPI-UHFFFAOYSA-N
XLogP1.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3,5-dichlorophenyl)ethanone;hydrochloride
CID 176516407
2-(3-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746581
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3-iodophenyl)ethanone;hydrochloride
CID 119410199
1-(3-aminopyrrolidin-1-yl)-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119483085
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
[(3S)-1-[2-(3-chlorophenyl)acetyl]piperidin-3-yl]methanesulfonamide
CID 96515234
1-[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-2-(3-chlorophenyl)ethanone
CID 125118018
2-(3-chlorophenyl)-1-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 97061949
1-(3-aminopyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119482994
1-(3-aminopyrrolidin-1-yl)-2-(4-bromo-3-chlorophenyl)ethanone;hydrochloride
CID 176516000
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone (CID 62504630) is 1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone is NC1CCN(C(=O)Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone?
The InChIKey is AYPSTONLESTKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-10-3-1-2-9(6-10)7-12(16)15-5-4-11(14)8-15/h1-3,6,11H,4-5,7-8,14H2.
What are the key properties of 1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone?
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone has a molecular weight of 238.72 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone is sourced from PubChem (CID 62504630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).