3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one

C11H16N2O — CID 129370302

IUPAC3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one
SMILESCc1cc([C@@H]2CCCN2C)c[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-8-6-9(7-12-11(8)14)10-4-3-5-13(10)2/h6-7,10H,3-5H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyCUROVWKOFDUMLP-JTQLQIEISA-N
MW192.26 g/mol
LogP1.45
Rot. Bonds1

About 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one

3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one (PubChem CID 129370302) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one
PubChem CID129370302
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one
SMILESCc1cc([C@@H]2CCCN2C)c[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-8-6-9(7-12-11(8)14)10-4-3-5-13(10)2/h6-7,10H,3-5H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyCUROVWKOFDUMLP-JTQLQIEISA-N
XLogP1.45
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methoxy-3-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
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3-(5-methyl-6-oxo-1H-pyridin-3-yl)cyclohexane-1-carbaldehyde
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(2S)-1-methyl-2-(3-methylphenyl)pyrrolidine
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2-(3,5-ditert-butylphenyl)-1-methylpyrrolidine
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5-[(2S)-1-methylpiperidin-2-yl]-1H-indole
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3-methyl-5-[1-(2-methylpropyl)pyrrolidin-2-yl]-1H-pyridine-2-thione
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2-methyl-5-(1-methylpyrrolidin-2-yl)pyridine
CID 5020711
2-(2,5-dimethylphenyl)-1-methylpyrrolidine;ethane
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5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one (CID 129370302) is 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one is Cc1cc([C@@H]2CCCN2C)c[nH]c1=O.
What is the InChIKey of 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one?
The InChIKey is CUROVWKOFDUMLP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-6-9(7-12-11(8)14)10-4-3-5-13(10)2/h6-7,10H,3-5H2,1-2H3,(H,12,14)/t10-/m0/s1.
What are the key properties of 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one?
3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 129370302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).