benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate

C13H13NO3 — CID 11368235

IUPACbenzyl 4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESO=C1C=CN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C13H13NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2
InChIKeyOAKHYPNVCUHASC-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.11
Rot. Bonds2

About benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate

benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 11368235) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID11368235
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namebenzyl 4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESO=C1C=CN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C13H13NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2
InChIKeyOAKHYPNVCUHASC-UHFFFAOYSA-N
XLogP2.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate (CID 11368235) is benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate is O=C1C=CN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is OAKHYPNVCUHASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12-6-8-14(9-7-12)13(16)17-10-11-4-2-1-3-5-11/h1-6,8H,7,9-10H2.
What are the key properties of benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate?
benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 11368235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).