3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C12H16N2O3 — CID 103863308

IUPAC3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC[C@H]2CO)c(=O)[nH]1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-10(11(16)13-8)12(17)14-6-2-3-9(14)7-15/h4-5,9,15H,2-3,6-7H2,1H3,(H,13,16)/t9-/m0/s1
InChIKeyZGYKQMOBQDAVKJ-VIFPVBQESA-N
MW236.27 g/mol
LogP0.28
Rot. Bonds2

About 3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 103863308) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID103863308
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc(C(=O)N2CCC[C@H]2CO)c(=O)[nH]1
InChIInChI=1S/C12H16N2O3/c1-8-4-5-10(11(16)13-8)12(17)14-6-2-3-9(14)7-15/h4-5,9,15H,2-3,6-7H2,1H3,(H,13,16)/t9-/m0/s1
InChIKeyZGYKQMOBQDAVKJ-VIFPVBQESA-N
XLogP0.28
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95976883
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 71873396
3-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 102738272
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
6-methyl-3-(2-phenylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 86768761
3-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-(2-methoxyphenyl)-1H-pyridin-2-one
CID 138054672
(4-amino-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94007740
(4-chloro-2-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104956210
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
(2,5-dimethylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028912
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 103337686
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 103863308) is 3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is Cc1ccc(C(=O)N2CCC[C@H]2CO)c(=O)[nH]1.
What is the InChIKey of 3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is ZGYKQMOBQDAVKJ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-4-5-10(11(16)13-8)12(17)14-6-2-3-9(14)7-15/h4-5,9,15H,2-3,6-7H2,1H3,(H,13,16)/t9-/m0/s1.
What are the key properties of 3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 236.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 103863308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).