(3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one

C18H19FN2O3 — CID 21350203

IUPAC(3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one
SMILESCOCOc1ccc(N2CC[C@@H](F)C2=O)nc1Cc1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-23-12-24-16-7-8-17(21-10-9-14(19)18(21)22)20-15(16)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/t14-/m1/s1
InChIKeyQFYPWRZCUUUJRV-CQSZACIVSA-N
MW330.36 g/mol
LogP2.73
Rot. Bonds6

About (3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one

(3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one (PubChem CID 21350203) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one
PubChem CID21350203
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one
SMILESCOCOc1ccc(N2CC[C@@H](F)C2=O)nc1Cc1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-23-12-24-16-7-8-17(21-10-9-14(19)18(21)22)20-15(16)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/t14-/m1/s1
InChIKeyQFYPWRZCUUUJRV-CQSZACIVSA-N
XLogP2.73
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one?
The IUPAC name of (3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one (CID 21350203) is (3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one.
What is the SMILES notation for (3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one?
The canonical SMILES for (3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one is COCOc1ccc(N2CC[C@@H](F)C2=O)nc1Cc1ccccc1.
What is the InChIKey of (3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one?
The InChIKey is QFYPWRZCUUUJRV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-23-12-24-16-7-8-17(21-10-9-14(19)18(21)22)20-15(16)11-13-5-3-2-4-6-13/h2-8,14H,9-12H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one?
(3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one has a molecular weight of 330.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-benzyl-5-(methoxymethoxy)-2-pyridinyl]-3-fluoropyrrolidin-2-one is sourced from PubChem (CID 21350203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).