1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one

C13H17FN2O — CID 171097374

IUPAC1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one
SMILESCc1ncccc1CCC(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C13H17FN2O/c1-10-11(3-2-7-15-10)4-5-13(17)16-8-6-12(14)9-16/h2-3,7,12H,4-6,8-9H2,1H3/t12-/m1/s1
InChIKeyKWFPHXYRBMYRBC-GFCCVEGCSA-N
MW236.29 g/mol
LogP1.89
Rot. Bonds3

About 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one

1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one (PubChem CID 171097374) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one
PubChem CID171097374
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one
SMILESCc1ncccc1CCC(=O)N1CC[C@@H](F)C1
InChIInChI=1S/C13H17FN2O/c1-10-11(3-2-7-15-10)4-5-13(17)16-8-6-12(14)9-16/h2-3,7,12H,4-6,8-9H2,1H3/t12-/m1/s1
InChIKeyKWFPHXYRBMYRBC-GFCCVEGCSA-N
XLogP1.89
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methyl-3-pyridinyl)propanoic acid;hydrochloride
CID 134129731
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114509852
3-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104760
3-(2-hydroxyphenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66291219
1-(4-chloro-3-methylpiperidin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 114683007
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575
3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575658
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
3-(2-fluorophenyl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 124984653
2-[1-[3-(2-methoxyphenyl)propanoyl]pyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91913891
1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 79411304
3-(2-bromophenyl)-1-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]propan-1-one
CID 121150437

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one?
The IUPAC name of 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one (CID 171097374) is 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one is Cc1ncccc1CCC(=O)N1CC[C@@H](F)C1.
What is the InChIKey of 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one?
The InChIKey is KWFPHXYRBMYRBC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-10-11(3-2-7-15-10)4-5-13(17)16-8-6-12(14)9-16/h2-3,7,12H,4-6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one?
1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one has a molecular weight of 236.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-fluoropyrrolidin-1-yl]-3-(2-methyl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 171097374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).