[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C19H25FN2O — CID 129427750

IUPAC[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O/c1-21-10-2-4-17(21)18-5-3-11-22(18)19(23)16-12-15(16)13-6-8-14(20)9-7-13/h6-9,15-18H,2-5,10-12H2,1H3/t15-,16-,17+,18-/m0/s1
InChIKeyGUTYJSHOGDKGEM-FJIDUMEYSA-N
MW316.42 g/mol
LogP3.01
Rot. Bonds3

About [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 129427750) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID129427750
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C19H25FN2O/c1-21-10-2-4-17(21)18-5-3-11-22(18)19(23)16-12-15(16)13-6-8-14(20)9-7-13/h6-9,15-18H,2-5,10-12H2,1H3/t15-,16-,17+,18-/m0/s1
InChIKeyGUTYJSHOGDKGEM-FJIDUMEYSA-N
XLogP3.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 129427750) is [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1c1ccc(F)cc1.
What is the InChIKey of [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is GUTYJSHOGDKGEM-FJIDUMEYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-21-10-2-4-17(21)18-5-3-11-22(18)19(23)16-12-15(16)13-6-8-14(20)9-7-13/h6-9,15-18H,2-5,10-12H2,1H3/t15-,16-,17+,18-/m0/s1.
What are the key properties of [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 316.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129427750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).