methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate

C9H11NO3 — CID 126586374

IUPACmethyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cccn(C)c1=O
InChIInChI=1S/C9H11NO3/c1-10-5-3-4-7(9(10)12)6-8(11)13-2/h3-5H,6H2,1-2H3
InChIKeyLEYTWHXOESSRLY-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.10
Rot. Bonds2

About methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate

methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate (PubChem CID 126586374) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate
PubChem CID126586374
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate
SMILESCOC(=O)Cc1cccn(C)c1=O
InChIInChI=1S/C9H11NO3/c1-10-5-3-4-7(9(10)12)6-8(11)13-2/h3-5H,6H2,1-2H3
InChIKeyLEYTWHXOESSRLY-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methyl-2-oxo-3-pyridinyl)methyl acetate
CID 165348634
methyl 2-[2-[(3-cyano-2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 104859148
methyl 2-[2-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]phenyl]acetate
CID 115461193
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-2-phenylacetamide
CID 110730343
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]-4-(trifluoromethyl)benzamide
CID 110730365
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
N-[(1-methyl-2-oxo-3-pyridinyl)methyl]pentanamide
CID 110730308
1-methyl-3-(phenoxymethyl)pyridin-2-one
CID 11424456
2-chloro-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzamide
CID 110730355
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate?
The IUPAC name of methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate (CID 126586374) is methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate.
What is the SMILES notation for methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate?
The canonical SMILES for methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate is COC(=O)Cc1cccn(C)c1=O.
What is the InChIKey of methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate?
The InChIKey is LEYTWHXOESSRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-10-5-3-4-7(9(10)12)6-8(11)13-2/h3-5H,6H2,1-2H3.
What are the key properties of methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate?
methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate has a molecular weight of 181.19 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methyl-2-oxo-3-pyridinyl)acetate is sourced from PubChem (CID 126586374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).