2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one

C15H24N2O2 — CID 156605323

IUPAC2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CC(C)(C)C(C)(O)C2)c(C)c1=O
InChIInChI=1S/C15H24N2O2/c1-10-6-16-12(11(2)13(10)18)7-17-8-14(3,4)15(5,19)9-17/h6,19H,7-9H2,1-5H3,(H,16,18)
InChIKeyLMYKKOCSWBZINY-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.58
Rot. Bonds2

About 2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one

2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one (PubChem CID 156605323) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one
PubChem CID156605323
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one
SMILESCc1c[nH]c(CN2CC(C)(C)C(C)(O)C2)c(C)c1=O
InChIInChI=1S/C15H24N2O2/c1-10-6-16-12(11(2)13(10)18)7-17-8-14(3,4)15(5,19)9-17/h6,19H,7-9H2,1-5H3,(H,16,18)
InChIKeyLMYKKOCSWBZINY-UHFFFAOYSA-N
XLogP1.58
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one?
The IUPAC name of 2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one (CID 156605323) is 2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one is Cc1c[nH]c(CN2CC(C)(C)C(C)(O)C2)c(C)c1=O.
What is the InChIKey of 2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one?
The InChIKey is LMYKKOCSWBZINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10-6-16-12(11(2)13(10)18)7-17-8-14(3,4)15(5,19)9-17/h6,19H,7-9H2,1-5H3,(H,16,18).
What are the key properties of 2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one?
2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one has a molecular weight of 264.37 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)methyl]-3,5-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 156605323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).