1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione

C11H12N2O3 — CID 62992277

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(CN2CCC(=O)C2=O)cn1
InChIInChI=1S/C11H12N2O3/c1-16-10-3-2-8(6-12-10)7-13-5-4-9(14)11(13)15/h2-3,6H,4-5,7H2,1H3
InChIKeyYFDVCJZKVHODSE-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.39
Rot. Bonds3

About 1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione

1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione (PubChem CID 62992277) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione
PubChem CID62992277
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione
SMILESCOc1ccc(CN2CCC(=O)C2=O)cn1
InChIInChI=1S/C11H12N2O3/c1-16-10-3-2-8(6-12-10)7-13-5-4-9(14)11(13)15/h2-3,6H,4-5,7H2,1H3
InChIKeyYFDVCJZKVHODSE-UHFFFAOYSA-N
XLogP0.39
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-one
CID 63789999
1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 55140549
1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-imine
CID 62995548
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406431
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
CID 53185153
2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
CID 86050913
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162635875
1-[2-[(6-methoxy-3-pyridinyl)methylamino]ethyl]imidazolidin-2-one
CID 62990467
1-[2-[(6-methoxy-3-pyridinyl)methyl-methylamino]ethyl]piperidin-2-one
CID 77089464

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione (CID 62992277) is 1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione is COc1ccc(CN2CCC(=O)C2=O)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione?
The InChIKey is YFDVCJZKVHODSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-10-3-2-8(6-12-10)7-13-5-4-9(14)11(13)15/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione?
1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione has a molecular weight of 220.23 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione is sourced from PubChem (CID 62992277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).