propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate

C10H13NO3 — CID 112728304

IUPACpropan-2-yl 1-methyl-2-oxopyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C10H13NO3/c1-7(2)14-10(13)8-4-5-11(3)9(12)6-8/h4-7H,1-3H3
InChIKeyIACCECFOINLGIY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.95
Rot. Bonds2

About propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate

propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate (PubChem CID 112728304) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-methyl-2-oxopyridine-4-carboxylate
PubChem CID112728304
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namepropan-2-yl 1-methyl-2-oxopyridine-4-carboxylate
SMILESCC(C)OC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C10H13NO3/c1-7(2)14-10(13)8-4-5-11(3)9(12)6-8/h4-7H,1-3H3
InChIKeyIACCECFOINLGIY-UHFFFAOYSA-N
XLogP0.95
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate?
The IUPAC name of propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate (CID 112728304) is propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate.
What is the SMILES notation for propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate?
The canonical SMILES for propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate is CC(C)OC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate?
The InChIKey is IACCECFOINLGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(2)14-10(13)8-4-5-11(3)9(12)6-8/h4-7H,1-3H3.
What are the key properties of propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate?
propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-methyl-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 112728304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).