1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one

C12H16N2O2 — CID 123323957

IUPAC1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one
SMILESCc1ccnc(OCCN2CCCC2=O)c1
InChIInChI=1S/C12H16N2O2/c1-10-4-5-13-11(9-10)16-8-7-14-6-2-3-12(14)15/h4-5,9H,2-3,6-8H2,1H3
InChIKeyXJYUMLWCHNICIX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.39
Rot. Bonds4

About 1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one

1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one (PubChem CID 123323957) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one
PubChem CID123323957
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one
SMILESCc1ccnc(OCCN2CCCC2=O)c1
InChIInChI=1S/C12H16N2O2/c1-10-4-5-13-11(9-10)16-8-7-14-6-2-3-12(14)15/h4-5,9H,2-3,6-8H2,1H3
InChIKeyXJYUMLWCHNICIX-UHFFFAOYSA-N
XLogP1.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
CID 82129078
1-[2-(6-pyridin-2-ylpyridazin-3-yl)oxyethyl]pyrrolidin-2-one
CID 130251387
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[2-(4-propan-2-ylphenoxy)ethyl]pyrrolidin-2-one
CID 94689193
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
1-[2-[[5-(1,3-benzodioxol-5-yl)-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
CID 126470253
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82129052
1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one
CID 58748572
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one (CID 123323957) is 1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one is Cc1ccnc(OCCN2CCCC2=O)c1.
What is the InChIKey of 1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one?
The InChIKey is XJYUMLWCHNICIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10-4-5-13-11(9-10)16-8-7-14-6-2-3-12(14)15/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one?
1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 123323957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).