ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate

C10H15NO3 — CID 57456898

IUPACethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate
SMILESCCOC(=O)CC1=C(C)CCNC1=O
InChIInChI=1S/C10H15NO3/c1-3-14-9(12)6-8-7(2)4-5-11-10(8)13/h3-6H2,1-2H3,(H,11,13)
InChIKeySLRCMHRPXADFHC-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.78
Rot. Bonds3

About ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate

ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate (PubChem CID 57456898) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate
PubChem CID57456898
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate
SMILESCCOC(=O)CC1=C(C)CCNC1=O
InChIInChI=1S/C10H15NO3/c1-3-14-9(12)6-8-7(2)4-5-11-10(8)13/h3-6H2,1-2H3,(H,11,13)
InChIKeySLRCMHRPXADFHC-UHFFFAOYSA-N
XLogP0.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethoxy-2-oxoethyl)-4-methyl-6-oxo-2,3-dihydropyridine-1-carboxylic acid
CID 141116666
ethyl 5-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 54692116
ethyl 2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)acetate
CID 66965956
ethyl 2,3-dioxopiperazine-1-carboxylate
CID 130136555
ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 67531102
ethyl 2-(2-ethyl-3-oxopiperazin-1-yl)sulfonylacetate
CID 63600686
ethyl 2-[2,5-bis(aziridin-1-yl)-4-(ethoxycarbonylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]acetate
CID 158513913
ethyl 2-(2,3-dihydro-1H-indol-4-yloxy)acetate
CID 39733625
ethyl 2-(1-hydroxy-5-methyl-3,4-dihydro-2H-pyridin-6-yl)acetate
CID 91153409
ethyl 2-[(2R)-3-oxopiperazin-2-yl]acetate
CID 730145
ethyl 2-(2-aminocyclohexen-1-yl)oxyacetate
CID 89199778
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate?
The IUPAC name of ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate (CID 57456898) is ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate.
What is the SMILES notation for ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate?
The canonical SMILES for ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate is CCOC(=O)CC1=C(C)CCNC1=O.
What is the InChIKey of ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate?
The InChIKey is SLRCMHRPXADFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-14-9(12)6-8-7(2)4-5-11-10(8)13/h3-6H2,1-2H3,(H,11,13).
What are the key properties of ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate?
ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate has a molecular weight of 197.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)acetate is sourced from PubChem (CID 57456898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).