3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one

C12H16N2O3 — CID 103337557

IUPAC3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
SMILESCOCC1CCN(C(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C12H16N2O3/c1-17-8-9-3-5-14(7-9)12(16)10-6-13-4-2-11(10)15/h2,4,6,9H,3,5,7-8H2,1H3,(H,13,15)
InChIKeyIBCWFMBGIYITDI-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.48
Rot. Bonds3

About 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one

3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 103337557) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
PubChem CID103337557
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
SMILESCOCC1CCN(C(=O)c2c[nH]ccc2=O)C1
InChIInChI=1S/C12H16N2O3/c1-17-8-9-3-5-14(7-9)12(16)10-6-13-4-2-11(10)15/h2,4,6,9H,3,5,7-8H2,1H3,(H,13,15)
InChIKeyIBCWFMBGIYITDI-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethylpiperidine-1-carbonyl)-1H-pyridin-4-one
CID 103337171
3-(2-methylmorpholine-4-carbonyl)-1H-pyridin-4-one
CID 103336976
(2,3-dihydroxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 114344445
(3-bromo-2-methylphenyl)-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 97054377
3-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyridin-4-one
CID 64597440
(2-amino-4-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 115413350
1-(4-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxamide
CID 103336874
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
[6-(ethylamino)pyridazin-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64581169
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3,6-dimethylbenzoic acid
CID 103429118
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 64598036
3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 167774503

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one (CID 103337557) is 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one is COCC1CCN(C(=O)c2c[nH]ccc2=O)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is IBCWFMBGIYITDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-17-8-9-3-5-14(7-9)12(16)10-6-13-4-2-11(10)15/h2,4,6,9H,3,5,7-8H2,1H3,(H,13,15).
What are the key properties of 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one?
3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one has a molecular weight of 236.27 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 103337557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).