(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone

C10H17FN2O — CID 164657914

IUPAC(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCC(F)C1
InChIInChI=1S/C10H17FN2O/c1-7-4-12-5-9(7)10(14)13-3-2-8(11)6-13/h7-9,12H,2-6H2,1H3
InChIKeyFJWJIPQXAAQZBS-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.41
Rot. Bonds1

About (3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone

(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone (PubChem CID 164657914) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is (3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
PubChem CID164657914
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
SMILESCC1CNCC1C(=O)N1CCC(F)C1
InChIInChI=1S/C10H17FN2O/c1-7-4-12-5-9(7)10(14)13-3-2-8(11)6-13/h7-9,12H,2-6H2,1H3
InChIKeyFJWJIPQXAAQZBS-UHFFFAOYSA-N
XLogP0.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone (CID 164657914) is (3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone is CC1CNCC1C(=O)N1CCC(F)C1.
What is the InChIKey of (3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
The InChIKey is FJWJIPQXAAQZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-7-4-12-5-9(7)10(14)13-3-2-8(11)6-13/h7-9,12H,2-6H2,1H3.
What are the key properties of (3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone?
(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone has a molecular weight of 200.26 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 164657914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).