2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

C15H24N2O2 — CID 124906833

IUPAC2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCCOC[C@H]1CCCN1Cc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C15H24N2O2/c1-4-19-10-13-6-5-7-17(13)9-14-12(3)15(18)11(2)8-16-14/h8,13H,4-7,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyFKSVAOJKZRLLIX-CYBMUJFWSA-N
MW264.37 g/mol
LogP1.99
Rot. Bonds5

About 2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 124906833) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
PubChem CID124906833
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCCOC[C@H]1CCCN1Cc1[nH]cc(C)c(=O)c1C
InChIInChI=1S/C15H24N2O2/c1-4-19-10-13-6-5-7-17(13)9-14-12(3)15(18)11(2)8-16-14/h8,13H,4-7,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1
InChIKeyFKSVAOJKZRLLIX-CYBMUJFWSA-N
XLogP1.99
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 72918722
2-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanol
CID 129495167
(2R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-(ethoxymethyl)pyrrolidine
CID 99943979
2-(2,3-dihydro-1H-inden-2-yl)-1-[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]ethanone
CID 124758014
1-(2-ethoxyethyl)-2-(ethoxymethyl)piperidine
CID 121012447
ethane;1-[2-(ethoxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 156738237
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
ethane;16-[2-(ethoxymethyl)pyrrolidin-1-yl]-16-oxohexadecanoic acid
CID 156738231
2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one
CID 156605323
3-[(2R)-2-(ethoxymethyl)piperidin-1-yl]propanoic acid
CID 129323089
4-[(2S)-2-(ethoxymethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 129323090
3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129323138

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one (CID 124906833) is 2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is CCOC[C@H]1CCCN1Cc1[nH]cc(C)c(=O)c1C.
What is the InChIKey of 2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is FKSVAOJKZRLLIX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-19-10-13-6-5-7-17(13)9-14-12(3)15(18)11(2)8-16-14/h8,13H,4-7,9-10H2,1-3H3,(H,16,18)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one?
2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 264.37 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(ethoxymethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 124906833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).