2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone

C15H24FN3O2 — CID 72793667

IUPAC2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1C(=O)N1CCC(F)C1)N1CCCC1
InChIInChI=1S/C15H24FN3O2/c16-12-5-9-19(10-12)15(21)13-4-3-8-18(13)11-14(20)17-6-1-2-7-17/h12-13H,1-11H2
InChIKeyNJPWGWCHBXYFCQ-UHFFFAOYSA-N
MW297.37 g/mol
LogP0.64
Rot. Bonds3

About 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 72793667) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID72793667
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1C(=O)N1CCC(F)C1)N1CCCC1
InChIInChI=1S/C15H24FN3O2/c16-12-5-9-19(10-12)15(21)13-4-3-8-18(13)11-14(20)17-6-1-2-7-17/h12-13H,1-11H2
InChIKeyNJPWGWCHBXYFCQ-UHFFFAOYSA-N
XLogP0.64
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 72793667) is 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCCC1C(=O)N1CCC(F)C1)N1CCCC1.
What is the InChIKey of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is NJPWGWCHBXYFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c16-12-5-9-19(10-12)15(21)13-4-3-8-18(13)11-14(20)17-6-1-2-7-17/h12-13H,1-11H2.
What are the key properties of 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 297.37 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoropyrrolidine-1-carbonyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 72793667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).