1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one

C11H12N2O3 — CID 3047790

IUPAC1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CCCC2=O)cn1
InChIInChI=1S/C11H12N2O3/c1-16-9-5-4-8(7-12-9)11(15)13-6-2-3-10(13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyWLMMDVSGDYEVAD-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.85
Rot. Bonds2

About 1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one

1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one (PubChem CID 3047790) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one
PubChem CID3047790
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one
SMILESCOc1ccc(C(=O)N2CCCC2=O)cn1
InChIInChI=1S/C11H12N2O3/c1-16-9-5-4-8(7-12-9)11(15)13-6-2-3-10(13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyWLMMDVSGDYEVAD-UHFFFAOYSA-N
XLogP0.85
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one (CID 3047790) is 1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one is COc1ccc(C(=O)N2CCCC2=O)cn1.
What is the InChIKey of 1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one?
The InChIKey is WLMMDVSGDYEVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-9-5-4-8(7-12-9)11(15)13-6-2-3-10(13)14/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one?
1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyridine-3-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 3047790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).