1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one

C16H20FNO — CID 136523441

IUPAC1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccc(F)cc1)N1CCCC1C1CC1
InChIInChI=1S/C16H20FNO/c17-14-8-3-12(4-9-14)5-10-16(19)18-11-1-2-15(18)13-6-7-13/h3-4,8-9,13,15H,1-2,5-7,10-11H2
InChIKeyQCIPJMRFPLGBTM-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one

1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one (PubChem CID 136523441) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one
PubChem CID136523441
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one
SMILESO=C(CCc1ccc(F)cc1)N1CCCC1C1CC1
InChIInChI=1S/C16H20FNO/c17-14-8-3-12(4-9-14)5-10-16(19)18-11-1-2-15(18)13-6-7-13/h3-4,8-9,13,15H,1-2,5-7,10-11H2
InChIKeyQCIPJMRFPLGBTM-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclobutylpyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110871905
3-phenyl-1-[(2S)-2-piperidin-4-ylpyrrolidin-1-yl]propan-1-one
CID 93394731
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]acetic acid
CID 61010514
3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 60743171
(2-cyclopropylpyrrolidin-1-yl)-(4-fluorophenyl)methanone
CID 110871773
3-cyclopentyl-1-[4-[3-(4-fluorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 134021012
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
3-(4-fluorophenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104424
3-(3,4-difluorophenyl)-1-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 129428086
2-(4-chlorophenyl)-1-(2-cyclopropylpyrrolidin-1-yl)ethanone
CID 110871785
3-(4-fluorophenyl)-1-[(2R)-2-[2-(1-methylpyrazol-4-yl)-2-oxoethyl]pyrrolidin-1-yl]propan-1-one
CID 124592360

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one?
The IUPAC name of 1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one (CID 136523441) is 1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one is O=C(CCc1ccc(F)cc1)N1CCCC1C1CC1.
What is the InChIKey of 1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one?
The InChIKey is QCIPJMRFPLGBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c17-14-8-3-12(4-9-14)5-10-16(19)18-11-1-2-15(18)13-6-7-13/h3-4,8-9,13,15H,1-2,5-7,10-11H2.
What are the key properties of 1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one?
1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one has a molecular weight of 261.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrrolidin-1-yl)-3-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 136523441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).