methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate

C14H15NO3 — CID 11791437

IUPACmethyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate
SMILESCOC(=O)N1CC(=O)C=CC1Cc1ccccc1
InChIInChI=1S/C14H15NO3/c1-18-14(17)15-10-13(16)8-7-12(15)9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3
InChIKeyCRWYJZNUMLGUIE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.80
Rot. Bonds2

About methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate

methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate (PubChem CID 11791437) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate
PubChem CID11791437
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate
SMILESCOC(=O)N1CC(=O)C=CC1Cc1ccccc1
InChIInChI=1S/C14H15NO3/c1-18-14(17)15-10-13(16)8-7-12(15)9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3
InChIKeyCRWYJZNUMLGUIE-UHFFFAOYSA-N
XLogP1.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,5R)-2,4-dibenzyl-5-methylpiperazine-1-carboxylate
CID 68690521
methyl 2-benzylazepane-1-carboxylate
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methyl 3-oxo-2-phenylazetidine-1-carboxylate
CID 15110746
methyl 3-benzyl-3,6-diazabicyclo[3.2.1]octane-6-carboxylate
CID 22121946
methyl (2S)-2-phenacyl-2,5-dihydropyrrole-1-carboxylate
CID 163183549
methyl (2S,3R)-2-phenyl-3-[(2-phenylacetyl)amino]oxy-3,6-dihydro-2H-pyridine-1-carboxylate
CID 146592648
2-benzyl-1-(ethylamino)-2H-pyridine-5-carboxylic acid
CID 174361351
methyl (3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 126573947
methyl 4-benzyl-2-ethyl-5-(hydroxymethyl)piperazine-1-carboxylate
CID 21336859
benzyl (2R)-2-benzyl-3-oxoazetidine-1-carboxylate
CID 101153820
trans-methyl (1R,2R)-2-benzylcyclopropane-1-carboxylate
CID 71409329
1-O-butyl 3-O-methyl (3R,4R)-4-benzyl-5-oxopyrrolidine-1,3-dicarboxylate
CID 142553769

Frequently Asked Questions

What is the IUPAC name of methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
The IUPAC name of methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate (CID 11791437) is methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate.
What is the SMILES notation for methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
The canonical SMILES for methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate is COC(=O)N1CC(=O)C=CC1Cc1ccccc1.
What is the InChIKey of methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
The InChIKey is CRWYJZNUMLGUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-18-14(17)15-10-13(16)8-7-12(15)9-11-5-3-2-4-6-11/h2-8,12H,9-10H2,1H3.
What are the key properties of methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate?
methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-benzyl-5-oxo-2,6-dihydropyridine-1-carboxylate is sourced from PubChem (CID 11791437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).