3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one

C15H20FNO — CID 79183544

IUPAC3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one
SMILESCC1CN(CCC(=O)c2cccc(F)c2)CC1C
InChIInChI=1S/C15H20FNO/c1-11-9-17(10-12(11)2)7-6-15(18)13-4-3-5-14(16)8-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyALLYTTFANHRSAF-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.99
Rot. Bonds4

About 3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one

3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one (PubChem CID 79183544) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one
PubChem CID79183544
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one
SMILESCC1CN(CCC(=O)c2cccc(F)c2)CC1C
InChIInChI=1S/C15H20FNO/c1-11-9-17(10-12(11)2)7-6-15(18)13-4-3-5-14(16)8-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3
InChIKeyALLYTTFANHRSAF-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 62619215
3-(4-ethylpiperidin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62643546
1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 63972803
3-(4-benzylpiperazin-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 10294335
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1-(4-fluorophenyl)propan-1-one
CID 81474587
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
(3-fluorophenyl)-(2-methylcyclopropyl)methanone
CID 65421676
3-(1,3-dioxolan-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 2758695
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297
3-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)propan-1-one
CID 62618338
2-[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(3-fluorophenyl)ethanone;benzene
CID 144818766

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one?
The IUPAC name of 3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one (CID 79183544) is 3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one?
The canonical SMILES for 3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one is CC1CN(CCC(=O)c2cccc(F)c2)CC1C.
What is the InChIKey of 3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one?
The InChIKey is ALLYTTFANHRSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-11-9-17(10-12(11)2)7-6-15(18)13-4-3-5-14(16)8-13/h3-5,8,11-12H,6-7,9-10H2,1-2H3.
What are the key properties of 3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one?
3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one has a molecular weight of 249.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-1-one is sourced from PubChem (CID 79183544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).