methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate

C15H13NO5 — CID 2763734

IUPACmethyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C
InChIInChI=1S/C15H13NO5/c1-9-11(14(18)20-2)8-12(15(19)21-9)16-13(17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17)
InChIKeyLAQUSGABDKJNSQ-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.99
Rot. Bonds3

About methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate

methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate (PubChem CID 2763734) has the molecular formula C15H13NO5 and a molecular weight of 287.27 g/mol. Its IUPAC name is methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate
PubChem CID2763734
Molecular FormulaC15H13NO5
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Namemethyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C
InChIInChI=1S/C15H13NO5/c1-9-11(14(18)20-2)8-12(15(19)21-9)16-13(17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17)
InChIKeyLAQUSGABDKJNSQ-UHFFFAOYSA-N
XLogP1.99
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate?
The IUPAC name of methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate (CID 2763734) is methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate.
What is the SMILES notation for methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate?
The canonical SMILES for methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate is COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C.
What is the InChIKey of methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate?
The InChIKey is LAQUSGABDKJNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO5/c1-9-11(14(18)20-2)8-12(15(19)21-9)16-13(17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,16,17).
What are the key properties of methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate?
methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate has a molecular weight of 287.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-benzamido-2-methyl-6-oxopyran-3-carboxylate is sourced from PubChem (CID 2763734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).