2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one

C12H16N2O3 — CID 82064552

IUPAC2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCC(=O)N1CCCC1
InChIInChI=1S/C12H16N2O3/c1-9-12(10(15)4-5-13-9)17-8-11(16)14-6-2-3-7-14/h4-5H,2-3,6-8H2,1H3,(H,13,15)
InChIKeyDAWSMOSHUKJWCY-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.68
Rot. Bonds3

About 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one

2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one (PubChem CID 82064552) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
PubChem CID82064552
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCC(=O)N1CCCC1
InChIInChI=1S/C12H16N2O3/c1-9-12(10(15)4-5-13-9)17-8-11(16)14-6-2-3-7-14/h4-5H,2-3,6-8H2,1H3,(H,13,15)
InChIKeyDAWSMOSHUKJWCY-UHFFFAOYSA-N
XLogP0.68
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 38113540
2-(2,6-dimethyl-4-pyrrolidin-1-ylphenoxy)-1-pyrrolidin-1-ylethanone
CID 168515037
2-(3-chloro-2-methylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119418195
2-(3,4-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 2995974
3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 97179232
2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 112779040
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
1-pyrrolidin-1-yl-2-(2,4,5-trichlorophenoxy)ethanone
CID 977971
3-amino-2-[2-(azepan-1-yl)-2-oxoethoxy]benzoic acid
CID 107077561
3,5-dichloro-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 82918055
2-(2-propoxyphenoxy)-1-pyrrolidin-1-ylethanone
CID 112788345

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one (CID 82064552) is 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCC(=O)N1CCCC1.
What is the InChIKey of 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
The InChIKey is DAWSMOSHUKJWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-12(10(15)4-5-13-9)17-8-11(16)14-6-2-3-7-14/h4-5H,2-3,6-8H2,1H3,(H,13,15).
What are the key properties of 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one?
2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one has a molecular weight of 236.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 82064552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).