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

C10H14N2O — CID 56838322

IUPAC2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C10H14N2O/c1-7-5-8(13)6-10(12-7)9-3-2-4-11-9/h5-6,9,11H,2-4H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyYAEXFKABSHHPAG-VIFPVBQESA-N
MW178.24 g/mol
LogP1.11
Rot. Bonds1

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

2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one (PubChem CID 56838322) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
PubChem CID56838322
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
SMILESCc1cc(=O)cc([C@@H]2CCCN2)[nH]1
InChIInChI=1S/C10H14N2O/c1-7-5-8(13)6-10(12-7)9-3-2-4-11-9/h5-6,9,11H,2-4H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyYAEXFKABSHHPAG-VIFPVBQESA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[(2S)-pyrrolidin-2-yl]-1H-pyrrole
CID 55293321
2-methyl-6-pyrrolidin-3-yl-1H-pyridin-4-one
CID 73439726
3-[(2S)-pyrrolidin-2-yl]-2H-1,2-oxazol-5-one
CID 83845605
2-methyl-5-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
CID 131137914
6,7-dimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84622007
2-methyl-6-(1-methylazetidin-3-yl)-1H-pyridin-4-one
CID 95841142
4-methyl-3-pyrrolidin-2-yl-2H-1,2-oxazol-5-one
CID 130794068
2,6-dimethyl-1H-pyridin-4-one;hydrochloride
CID 44887209
5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84630290
2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one
CID 131163056
3,4,6-trimethyl-2-pyrrolidin-2-yl-1H-indole
CID 84625644
2-(2,6-dimethoxy-4-methylphenyl)pyrrolidine
CID 130144394

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one (CID 56838322) is 2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one is Cc1cc(=O)cc([C@@H]2CCCN2)[nH]1.
What is the InChIKey of 2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one?
The InChIKey is YAEXFKABSHHPAG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c1-7-5-8(13)6-10(12-7)9-3-2-4-11-9/h5-6,9,11H,2-4H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one?
2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one has a molecular weight of 178.24 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one is sourced from PubChem (CID 56838322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).