propan-2-yl 2-(4-oxo-1-pyridinyl)acetate

C10H13NO3 — CID 62881182

IUPACpropan-2-yl 2-(4-oxo-1-pyridinyl)acetate
SMILESCC(C)OC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C10H13NO3/c1-8(2)14-10(13)7-11-5-3-9(12)4-6-11/h3-6,8H,7H2,1-2H3
InChIKeyMVVKGMCONZBIOX-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.80
Rot. Bonds3

About propan-2-yl 2-(4-oxo-1-pyridinyl)acetate

propan-2-yl 2-(4-oxo-1-pyridinyl)acetate (PubChem CID 62881182) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is propan-2-yl 2-(4-oxo-1-pyridinyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-oxo-1-pyridinyl)acetate
PubChem CID62881182
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namepropan-2-yl 2-(4-oxo-1-pyridinyl)acetate
SMILESCC(C)OC(=O)Cn1ccc(=O)cc1
InChIInChI=1S/C10H13NO3/c1-8(2)14-10(13)7-11-5-3-9(12)4-6-11/h3-6,8H,7H2,1-2H3
InChIKeyMVVKGMCONZBIOX-UHFFFAOYSA-N
XLogP0.80
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Propyliodone
CID 4949
Ethyl 2-fluoro-2-(4-oxo-1-pyridinyl)acetate
CID 81297157
ethyl 2-(4-oxopyridin-1(4H)-yl)acetate
CID 12254000
Methyl 2-(4-oxo-1-pyridinyl)acetate
CID 15080691
ethyl 2-(4H-pyridin-1-yl)acetate
CID 58230626
ethyl (Z)-3-(dimethylamino)-2-(4-oxo-1-pyridinyl)prop-2-enoate
CID 117600789
ethyl 3-(dimethylamino)-2-(4-oxopyridin-1(4H)-yl)acrylate
CID 131732877
[(2R)-3,3-dimethylbutan-2-yl] 2-(4-oxo-1-pyridinyl)acetate
CID 132042545
[(1S)-1-iodoethyl] 2-(4-oxo-1-pyridinyl)acetate
CID 132050756
Ethyl 2-(4-oxo-1-pyridinyl)prop-2-enoate
CID 141433288
Ethane;propan-2-yl 2-(4-oxo-1-pyridinyl)acetate
CID 145068737
Ethane;ethyl 2-(4-oxo-1-pyridinyl)acetate
CID 145068804

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-oxo-1-pyridinyl)acetate?
The IUPAC name of propan-2-yl 2-(4-oxo-1-pyridinyl)acetate (CID 62881182) is propan-2-yl 2-(4-oxo-1-pyridinyl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-oxo-1-pyridinyl)acetate?
The canonical SMILES for propan-2-yl 2-(4-oxo-1-pyridinyl)acetate is CC(C)OC(=O)Cn1ccc(=O)cc1.
What is the InChIKey of propan-2-yl 2-(4-oxo-1-pyridinyl)acetate?
The InChIKey is MVVKGMCONZBIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-8(2)14-10(13)7-11-5-3-9(12)4-6-11/h3-6,8H,7H2,1-2H3.
What are the key properties of propan-2-yl 2-(4-oxo-1-pyridinyl)acetate?
propan-2-yl 2-(4-oxo-1-pyridinyl)acetate has a molecular weight of 195.22 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-oxo-1-pyridinyl)acetate is sourced from PubChem (CID 62881182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).