[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C15H18FNO2 — CID 99609165

IUPAC[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H]1CO
InChIInChI=1S/C15H18FNO2/c16-11-4-1-3-10(7-11)13-8-14(13)15(19)17-6-2-5-12(17)9-18/h1,3-4,7,12-14,18H,2,5-6,8-9H2/t12-,13+,14+/m0/s1
InChIKeyKTSKZKTXCWZBQP-BFHYXJOUSA-N
MW263.31 g/mol
LogP1.91
Rot. Bonds3

About [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone

[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 99609165) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID99609165
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H]1CO
InChIInChI=1S/C15H18FNO2/c16-11-4-1-3-10(7-11)13-8-14(13)15(19)17-6-2-5-12(17)9-18/h1,3-4,7,12-14,18H,2,5-6,8-9H2/t12-,13+,14+/m0/s1
InChIKeyKTSKZKTXCWZBQP-BFHYXJOUSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129380793
2-[(2S)-1-[(1R,2R)-2-(3-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]acetamide
CID 124786387
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95339200
[2-(3-fluorophenyl)cyclopropyl]-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 71931782
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602840
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 124736187
[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603407
[(1S,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129428018
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81482768
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95735818
(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone
CID 71936510
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[(1S,2R)-2-(2,5-difluorophenyl)cyclopropyl]methanone
CID 125147004

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 99609165) is [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H]1CO.
What is the InChIKey of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is KTSKZKTXCWZBQP-BFHYXJOUSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-11-4-1-3-10(7-11)13-8-14(13)15(19)17-6-2-5-12(17)9-18/h1,3-4,7,12-14,18H,2,5-6,8-9H2/t12-,13+,14+/m0/s1.
What are the key properties of [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 263.31 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99609165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).