methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate

C10H15NO3 — CID 21348544

IUPACmethyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate
SMILESCCCC1CC(=O)C=CN1C(=O)OC
InChIInChI=1S/C10H15NO3/c1-3-4-8-7-9(12)5-6-11(8)10(13)14-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyGJRNYIWYMVMMMA-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.71
Rot. Bonds2

About methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate

methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate (PubChem CID 21348544) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate
PubChem CID21348544
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Namemethyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate
SMILESCCCC1CC(=O)C=CN1C(=O)OC
InChIInChI=1S/C10H15NO3/c1-3-4-8-7-9(12)5-6-11(8)10(13)14-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyGJRNYIWYMVMMMA-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate (CID 21348544) is methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate is CCCC1CC(=O)C=CN1C(=O)OC.
What is the InChIKey of methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate?
The InChIKey is GJRNYIWYMVMMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-8-7-9(12)5-6-11(8)10(13)14-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate?
methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 21348544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).