methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate

C13H13NO3 — CID 102127135

IUPACmethyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C13H13NO3/c1-17-13(16)14-8-7-11(15)9-12(14)10-5-3-2-4-6-10/h2-8,12H,9H2,1H3/t12-/m1/s1
InChIKeyFWWDIKGTTMNMHD-GFCCVEGCSA-N
MW231.25 g/mol
LogP2.28
Rot. Bonds1

About methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate

methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate (PubChem CID 102127135) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate
PubChem CID102127135
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Namemethyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate
SMILESCOC(=O)N1C=CC(=O)C[C@@H]1c1ccccc1
InChIInChI=1S/C13H13NO3/c1-17-13(16)14-8-7-11(15)9-12(14)10-5-3-2-4-6-10/h2-8,12H,9H2,1H3/t12-/m1/s1
InChIKeyFWWDIKGTTMNMHD-GFCCVEGCSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl [(1R)-3-oxo-1-phenylbutyl]carbamate
CID 9549770
2-Phenyl-1,2,3,4-tetrahydropyridin-4-one
CID 11745107
1-Boc-2-phenyl-piperidin-4-one
CID 44558601
4(1H)-Pyridinone, 2,3-dihydro-2-phenyl-1-(phenylmethyl)-
CID 11448431
methyl 6-benzyl-5-oxo-5,6-dihydropyridine-1(2H)-carboxylate
CID 44413785
methyl 3-cyclopropyl-1-(2-oxopropyl)-1H-isoquinoline-2-carboxylate
CID 16759314
methyl 3-methyl-1-(2-oxopropyl)-1H-isoquinoline-2-carboxylate
CID 16759320
methyl 3-heptyl-1-(2-oxopropyl)-1H-isoquinoline-2-carboxylate
CID 16759036
methyl N-(3-oxo-1-phenylpentyl)carbamate
CID 16759061
methyl N-(3-oxo-1-phenylbutyl)carbamate
CID 16759078
methyl N-[(1R)-3-oxo-1-phenylpentyl]carbamate
CID 49858911
Ethyl 1-(2-oxo-2-phenylethyl)isoquinoline-2(1H)-carboxylate
CID 12737530

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate (CID 102127135) is methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate is COC(=O)N1C=CC(=O)C[C@@H]1c1ccccc1.
What is the InChIKey of methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate?
The InChIKey is FWWDIKGTTMNMHD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H13NO3/c1-17-13(16)14-8-7-11(15)9-12(14)10-5-3-2-4-6-10/h2-8,12H,9H2,1H3/t12-/m1/s1.
What are the key properties of methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate?
methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 102127135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).