2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one

C10H14N2O — CID 92615202

IUPAC2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc([C@H]2CCNC2)[nH]1
InChIInChI=1S/C10H14N2O/c1-7-4-9(13)5-10(12-7)8-2-3-11-6-8/h4-5,8,11H,2-3,6H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyZMADAYBEKMWRJZ-QMMMGPOBSA-N
MW178.24 g/mol
LogP0.76
Rot. Bonds1

About 2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one

2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one (PubChem CID 92615202) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one
PubChem CID92615202
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc([C@H]2CCNC2)[nH]1
InChIInChI=1S/C10H14N2O/c1-7-4-9(13)5-10(12-7)8-2-3-11-6-8/h4-5,8,11H,2-3,6H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyZMADAYBEKMWRJZ-QMMMGPOBSA-N
XLogP0.76
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-pyrrolidin-3-yl-1H-pyridin-4-one
CID 73439726
2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one
CID 95841142
2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 56838322
2-methyl-6-(1-methylpiperidin-3-yl)-1H-pyridin-4-one
CID 110269144
2-methyl-5-[(3R)-pyrrolidin-3-yl]-1H-pyrazol-3-one
CID 98104484
2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44887209
5-methyl-2-pyrrolidin-3-yl-1H-pyrimidin-6-one
CID 84656984
3,4,6-trimethyl-2-pyrrolidin-3-yl-1H-indole
CID 84625643
3-(3-fluoro-2,5-dimethylphenyl)pyrrolidine
CID 84772855
3-(3-bromo-5-methylthiophen-2-yl)pyrrolidine
CID 84803146
2-(dimethylamino)-4-[(3S)-pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136848975
2-pyrrolidin-3-yl-1H-pyrrolo[3,2-b]pyridine
CID 24759625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one (CID 92615202) is 2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one is Cc1cc(=O)cc([C@H]2CCNC2)[nH]1.
What is the InChIKey of 2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one?
The InChIKey is ZMADAYBEKMWRJZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-4-9(13)5-10(12-7)8-2-3-11-6-8/h4-5,8,11H,2-3,6H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of 2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one?
2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one has a molecular weight of 178.24 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3S)-pyrrolidin-3-yl]-1H-pyridin-4-one is sourced from PubChem (CID 92615202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).