4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one

C10H13FN2O — CID 168981862

IUPAC4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one
SMILESCn1ccc(C2(F)CCNC2)cc1=O
InChIInChI=1S/C10H13FN2O/c1-13-5-2-8(6-9(13)14)10(11)3-4-12-7-10/h2,5-6,12H,3-4,7H2,1H3
InChIKeyYZLLJWLZXQRZGT-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.54
Rot. Bonds1

About 4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one

4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one (PubChem CID 168981862) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one
PubChem CID168981862
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one
SMILESCn1ccc(C2(F)CCNC2)cc1=O
InChIInChI=1S/C10H13FN2O/c1-13-5-2-8(6-9(13)14)10(11)3-4-12-7-10/h2,5-6,12H,3-4,7H2,1H3
InChIKeyYZLLJWLZXQRZGT-UHFFFAOYSA-N
XLogP0.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one?
The IUPAC name of 4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one (CID 168981862) is 4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one is Cn1ccc(C2(F)CCNC2)cc1=O.
What is the InChIKey of 4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one?
The InChIKey is YZLLJWLZXQRZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-13-5-2-8(6-9(13)14)10(11)3-4-12-7-10/h2,5-6,12H,3-4,7H2,1H3.
What are the key properties of 4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one?
4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one has a molecular weight of 196.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropyrrolidin-3-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 168981862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).