4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one

C11H15NO3 — CID 137429695

IUPAC4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one
SMILESCC(C)C(=O)COCc1cc[nH]c(=O)c1
InChIInChI=1S/C11H15NO3/c1-8(2)10(13)7-15-6-9-3-4-12-11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,12,14)
InChIKeyXMSIVAZRGHSNPP-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.12
Rot. Bonds5

About 4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one

4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one (PubChem CID 137429695) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one
PubChem CID137429695
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one
SMILESCC(C)C(=O)COCc1cc[nH]c(=O)c1
InChIInChI=1S/C11H15NO3/c1-8(2)10(13)7-15-6-9-3-4-12-11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,12,14)
InChIKeyXMSIVAZRGHSNPP-UHFFFAOYSA-N
XLogP1.12
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one?
The IUPAC name of 4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one (CID 137429695) is 4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one is CC(C)C(=O)COCc1cc[nH]c(=O)c1.
What is the InChIKey of 4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one?
The InChIKey is XMSIVAZRGHSNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(2)10(13)7-15-6-9-3-4-12-11(14)5-9/h3-5,8H,6-7H2,1-2H3,(H,12,14).
What are the key properties of 4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one?
4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one has a molecular weight of 209.24 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methyl-2-oxobutoxy)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 137429695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).