1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone

C12H15FN2O — CID 62069201

IUPAC1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
SMILESNC1CCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-12(16)15-6-5-11(14)8-15/h1-4,11H,5-8,14H2
InChIKeyNLOWYYLHBJIVFA-UHFFFAOYSA-N
MW222.26 g/mol
LogP0.93
Rot. Bonds2

About 1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone

1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 62069201) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
PubChem CID62069201
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
SMILESNC1CCN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-12(16)15-6-5-11(14)8-15/h1-4,11H,5-8,14H2
InChIKeyNLOWYYLHBJIVFA-UHFFFAOYSA-N
XLogP0.93
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119934564
1-(3-aminopyrrolidin-1-yl)-2-(4-chlorophenyl)ethanone;hydrochloride
CID 119483085
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4-bromophenyl)ethanone;hydrochloride
CID 119411406
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(difluoromethylsulfonyl)phenyl]ethanone
CID 119410753
1-(3-aminopyrrolidin-1-yl)-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119482626
1-(3-aminopyrrolidin-1-yl)-2-(5-methyl-1H-pyrrol-3-yl)ethanone
CID 112530754
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121197382
1-(3-aminopyrrolidin-1-yl)-2-(2-bromo-4-fluorophenyl)ethanone;hydrochloride
CID 170456758
1-[(3R)-3-aminopiperidin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 102983742
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-(3-aminopyrrolidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530782

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone (CID 62069201) is 1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone is NC1CCN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is NLOWYYLHBJIVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-3-1-9(2-4-10)7-12(16)15-6-5-11(14)8-15/h1-4,11H,5-8,14H2.
What are the key properties of 1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone?
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 222.26 g/mol, XLogP of 0.93, 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-(4-fluorophenyl)ethanone is sourced from PubChem (CID 62069201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).