benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate

C16H19NO3 — CID 10912688

IUPACbenzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate
SMILESCCC[C@@H]1CC(=O)C=CN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H19NO3/c1-2-6-14-11-15(18)9-10-17(14)16(19)20-12-13-7-4-3-5-8-13/h3-5,7-10,14H,2,6,11-12H2,1H3/t14-/m1/s1
InChIKeySYWFGYZHYRYOKS-CQSZACIVSA-N
MW273.33 g/mol
LogP3.28
Rot. Bonds4

About benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate

benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate (PubChem CID 10912688) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate
PubChem CID10912688
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namebenzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate
SMILESCCC[C@@H]1CC(=O)C=CN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H19NO3/c1-2-6-14-11-15(18)9-10-17(14)16(19)20-12-13-7-4-3-5-8-13/h3-5,7-10,14H,2,6,11-12H2,1H3/t14-/m1/s1
InChIKeySYWFGYZHYRYOKS-CQSZACIVSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate (CID 10912688) is benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate is CCC[C@@H]1CC(=O)C=CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate?
The InChIKey is SYWFGYZHYRYOKS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19NO3/c1-2-6-14-11-15(18)9-10-17(14)16(19)20-12-13-7-4-3-5-8-13/h3-5,7-10,14H,2,6,11-12H2,1H3/t14-/m1/s1.
What are the key properties of benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate?
benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-4-oxo-2-propyl-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 10912688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).