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

C11H16N2O2 — CID 84676156

IUPAC2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCC1CCNC1
InChIInChI=1S/C11H16N2O2/c1-8-11(10(14)3-5-13-8)15-7-9-2-4-12-6-9/h3,5,9,12H,2,4,6-7H2,1H3,(H,13,14)
InChIKeyRJZHEPJGFNWSKH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.67
Rot. Bonds3

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

2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one (PubChem CID 84676156) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one
PubChem CID84676156
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one
SMILESCc1[nH]ccc(=O)c1OCC1CCNC1
InChIInChI=1S/C11H16N2O2/c1-8-11(10(14)3-5-13-8)15-7-9-2-4-12-6-9/h3,5,9,12H,2,4,6-7H2,1H3,(H,13,14)
InChIKeyRJZHEPJGFNWSKH-UHFFFAOYSA-N
XLogP0.67
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
CID 15541141
(3R)-3-[(4-ethoxyphenoxy)methyl]pyrrolidine
CID 86321325
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
(3S)-3-[(2,4,5-trichlorophenoxy)methyl]pyrrolidine
CID 86320986
3-[(4-ethoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830321
3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973
3-[(3-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 56830431
(3R)-3-[(4-chloro-3-methylphenoxy)methyl]piperidine
CID 28750104
4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine
CID 94408418

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one (CID 84676156) is 2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one is Cc1[nH]ccc(=O)c1OCC1CCNC1.
What is the InChIKey of 2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one?
The InChIKey is RJZHEPJGFNWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-11(10(14)3-5-13-8)15-7-9-2-4-12-6-9/h3,5,9,12H,2,4,6-7H2,1H3,(H,13,14).
What are the key properties of 2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one?
2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(pyrrolidin-3-ylmethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 84676156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).