methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate

C9H11NO3 — CID 59562280

IUPACmethyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1ccc(C)cc1=O
InChIInChI=1S/C9H11NO3/c1-7-3-4-10(8(11)5-7)6-9(12)13-2/h3-5H,6H2,1-2H3
InChIKeyVHRKSNMXFJXIPS-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.33
Rot. Bonds2

About methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate

methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate (PubChem CID 59562280) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
PubChem CID59562280
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate
SMILESCOC(=O)Cn1ccc(C)cc1=O
InChIInChI=1S/C9H11NO3/c1-7-3-4-10(8(11)5-7)6-9(12)13-2/h3-5H,6H2,1-2H3
InChIKeyVHRKSNMXFJXIPS-UHFFFAOYSA-N
XLogP0.33
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate;2-(4-methyl-2-oxo-1-pyridinyl)acetic acid
CID 160822702
methyl 4-(4-methyl-2-oxo-1-pyridinyl)butanoate
CID 62960871
1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-methylpyridin-2-one
CID 62963387
2-[[2-(4-methyl-2-oxo-1-pyridinyl)acetyl]amino]acetic acid
CID 146134067
methyl 2-[4-(furan-2-yl)-2-oxo-1-pyridinyl]acetate
CID 125457554
methyl 2-acetamido-3-(4-methyl-2-oxo-1-pyridinyl)propanoate
CID 65441441
1-(2-cyclopentyl-2-oxoethyl)-4-methylpyridin-2-one
CID 104751405
1-[2-(2,6-difluorophenyl)-2-oxoethyl]-4-methylpyridin-2-one
CID 55153497
N-(2-aminophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962477
N,N-dimethyl-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 116622594
N-(4-amino-2-methylphenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 62962656
N-(3-bromophenyl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 115614106

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate?
The IUPAC name of methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate (CID 59562280) is methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate?
The canonical SMILES for methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate is COC(=O)Cn1ccc(C)cc1=O.
What is the InChIKey of methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate?
The InChIKey is VHRKSNMXFJXIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-7-3-4-10(8(11)5-7)6-9(12)13-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate?
methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate has a molecular weight of 181.19 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methyl-2-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 59562280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).