methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate

C15H15NO3 — CID 118717699

IUPACmethyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate
SMILESCOC(=O)N1C(=O)C=CCC1/C=C/c1ccccc1
InChIInChI=1S/C15H15NO3/c1-19-15(18)16-13(8-5-9-14(16)17)11-10-12-6-3-2-4-7-12/h2-7,9-11,13H,8H2,1H3/b11-10+
InChIKeyGMQNDDGYXVQQGY-ZHACJKMWSA-N
MW257.29 g/mol
LogP2.62
Rot. Bonds2

About methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate

methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate (PubChem CID 118717699) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate
PubChem CID118717699
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate
SMILESCOC(=O)N1C(=O)C=CCC1/C=C/c1ccccc1
InChIInChI=1S/C15H15NO3/c1-19-15(18)16-13(8-5-9-14(16)17)11-10-12-6-3-2-4-7-12/h2-7,9-11,13H,8H2,1H3/b11-10+
InChIKeyGMQNDDGYXVQQGY-ZHACJKMWSA-N
XLogP2.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate (CID 118717699) is methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate is COC(=O)N1C(=O)C=CCC1/C=C/c1ccccc1.
What is the InChIKey of methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate?
The InChIKey is GMQNDDGYXVQQGY-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-15(18)16-13(8-5-9-14(16)17)11-10-12-6-3-2-4-7-12/h2-7,9-11,13H,8H2,1H3/b11-10+.
What are the key properties of methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate?
methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-2-[(E)-2-phenylethenyl]-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 118717699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).