phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate

C14H15NO3 — CID 102247017

IUPACphenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCC1=CC(=O)N(C(=O)Oc2ccccc2)[C@H](C)C1
InChIInChI=1S/C14H15NO3/c1-10-8-11(2)15(13(16)9-10)14(17)18-12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKeyPOBCCTSKHRJYOF-LLVKDONJSA-N
MW245.28 g/mol
LogP2.75
Rot. Bonds1

About phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate

phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 102247017) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namephenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID102247017
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namephenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCC1=CC(=O)N(C(=O)Oc2ccccc2)[C@H](C)C1
InChIInChI=1S/C14H15NO3/c1-10-8-11(2)15(13(16)9-10)14(17)18-12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1
InChIKeyPOBCCTSKHRJYOF-LLVKDONJSA-N
XLogP2.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate (CID 102247017) is phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate is CC1=CC(=O)N(C(=O)Oc2ccccc2)[C@H](C)C1.
What is the InChIKey of phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is POBCCTSKHRJYOF-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-8-11(2)15(13(16)9-10)14(17)18-12-6-4-3-5-7-12/h3-7,9,11H,8H2,1-2H3/t11-/m1/s1.
What are the key properties of phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate?
phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2R)-2,4-dimethyl-6-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 102247017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).