[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

C15H19FN2O — CID 119721878

IUPAC[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c16-13-4-1-3-11(9-13)14-5-2-8-18(14)15(19)12-6-7-17-10-12/h1,3-4,9,12,14,17H,2,5-8,10H2
InChIKeyLLONJGYLELPTTD-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.10
Rot. Bonds2

About [2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 119721878) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is [2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID119721878
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C15H19FN2O/c16-13-4-1-3-11(9-13)14-5-2-8-18(14)15(19)12-6-7-17-10-12/h1,3-4,9,12,14,17H,2,5-8,10H2
InChIKeyLLONJGYLELPTTD-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 81128440
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120736265
cyclopropyl-[3-[2-(3-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 120738005
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
[2-(3-fluorophenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 120735636
[2-(3-fluorophenyl)piperazin-1-yl]-(thian-4-yl)methanone;hydrochloride
CID 120737909
[2-(3-methylphenyl)azepan-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119328737
[2-(3-fluorophenyl)piperazin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 120736138
[2-(3-fluorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120735794

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (CID 119721878) is [2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CCCC1c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is LLONJGYLELPTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-13-4-1-3-11(9-13)14-5-2-8-18(14)15(19)12-6-7-17-10-12/h1,3-4,9,12,14,17H,2,5-8,10H2.
What are the key properties of [2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 262.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119721878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).