(4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one

C10H11FN2O — CID 125488924

IUPAC(4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](c2ccc(F)nc2)CC1=O
InChIInChI=1S/C10H11FN2O/c1-13-6-8(4-10(13)14)7-2-3-9(11)12-5-7/h2-3,5,8H,4,6H2,1H3/t8-/m0/s1
InChIKeyVGQLCLLSZZLRCN-QMMMGPOBSA-N
MW194.21 g/mol
LogP1.17
Rot. Bonds1

About (4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one

(4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one (PubChem CID 125488924) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is (4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one
PubChem CID125488924
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name(4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one
SMILESCN1C[C@@H](c2ccc(F)nc2)CC1=O
InChIInChI=1S/C10H11FN2O/c1-13-6-8(4-10(13)14)7-2-3-9(11)12-5-7/h2-3,5,8H,4,6H2,1H3/t8-/m0/s1
InChIKeyVGQLCLLSZZLRCN-QMMMGPOBSA-N
XLogP1.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 71364641
(4S)-1-methyl-4-phenylpyrrolidin-2-one
CID 67575934
(4R)-4-(6-amino-5-bromo-3-pyridinyl)-1-methylpyrrolidin-2-one
CID 125488930
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
2-(6-fluoro-3-pyridinyl)piperidin-4-one
CID 82401375
4-(6-amino-2-pyridinyl)-1-methylpyrrolidin-2-one
CID 172723716
4-(2,6-dichlorophenyl)-1-methylpyrrolidin-2-one
CID 22759477
(3S,4R)-4-(4-fluorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 70035367
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
(4R)-1-methyl-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 40500172
(4R)-1-methyl-4-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40634253
(4S)-1-methyl-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 39115849

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one (CID 125488924) is (4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one is CN1C[C@@H](c2ccc(F)nc2)CC1=O.
What is the InChIKey of (4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one?
The InChIKey is VGQLCLLSZZLRCN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-13-6-8(4-10(13)14)7-2-3-9(11)12-5-7/h2-3,5,8H,4,6H2,1H3/t8-/m0/s1.
What are the key properties of (4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one?
(4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one has a molecular weight of 194.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 125488924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).