[1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone

C13H24FN3O — CID 72793670

IUPAC[1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESCN(C)CCN1CCCC1C(=O)N1CCC(F)C1
InChIInChI=1S/C13H24FN3O/c1-15(2)8-9-16-6-3-4-12(16)13(18)17-7-5-11(14)10-17/h11-12H,3-10H2,1-2H3
InChIKeyOLDHKPOLROMOTR-UHFFFAOYSA-N
MW257.35 g/mol
LogP0.58
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone

[1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone (PubChem CID 72793670) has the molecular formula C13H24FN3O and a molecular weight of 257.35 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone
PubChem CID72793670
Molecular FormulaC13H24FN3O
Molecular Weight257.35 g/mol
Exact Mass257.19
IUPAC Name[1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESCN(C)CCN1CCCC1C(=O)N1CCC(F)C1
InChIInChI=1S/C13H24FN3O/c1-15(2)8-9-16-6-3-4-12(16)13(18)17-7-5-11(14)10-17/h11-12H,3-10H2,1-2H3
InChIKeyOLDHKPOLROMOTR-UHFFFAOYSA-N
XLogP0.58
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The IUPAC name of [1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone (CID 72793670) is [1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone is CN(C)CCN1CCCC1C(=O)N1CCC(F)C1.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone?
The InChIKey is OLDHKPOLROMOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3O/c1-15(2)8-9-16-6-3-4-12(16)13(18)17-7-5-11(14)10-17/h11-12H,3-10H2,1-2H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone?
[1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone has a molecular weight of 257.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]-(3-fluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 72793670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).