6-oxo-N-(1-phenylethyl)pyran-3-carboxamide

C14H13NO3 — CID 660747

IUPAC6-oxo-N-(1-phenylethyl)pyran-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)oc1)c1ccccc1
InChIInChI=1S/C14H13NO3/c1-10(11-5-3-2-4-6-11)15-14(17)12-7-8-13(16)18-9-12/h2-10H,1H3,(H,15,17)
InChIKeyQUTXSERKGMGPSH-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.13
Rot. Bonds3

About 6-oxo-N-(1-phenylethyl)pyran-3-carboxamide

6-oxo-N-(1-phenylethyl)pyran-3-carboxamide (PubChem CID 660747) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 6-oxo-N-(1-phenylethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(1-phenylethyl)pyran-3-carboxamide
PubChem CID660747
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name6-oxo-N-(1-phenylethyl)pyran-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)oc1)c1ccccc1
InChIInChI=1S/C14H13NO3/c1-10(11-5-3-2-4-6-11)15-14(17)12-7-8-13(16)18-9-12/h2-10H,1H3,(H,15,17)
InChIKeyQUTXSERKGMGPSH-UHFFFAOYSA-N
XLogP2.13
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(1-phenylethyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(1-phenylethyl)pyran-3-carboxamide (CID 660747) is 6-oxo-N-(1-phenylethyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(1-phenylethyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(1-phenylethyl)pyran-3-carboxamide is CC(NC(=O)c1ccc(=O)oc1)c1ccccc1.
What is the InChIKey of 6-oxo-N-(1-phenylethyl)pyran-3-carboxamide?
The InChIKey is QUTXSERKGMGPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10(11-5-3-2-4-6-11)15-14(17)12-7-8-13(16)18-9-12/h2-10H,1H3,(H,15,17).
What are the key properties of 6-oxo-N-(1-phenylethyl)pyran-3-carboxamide?
6-oxo-N-(1-phenylethyl)pyran-3-carboxamide has a molecular weight of 243.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(1-phenylethyl)pyran-3-carboxamide is sourced from PubChem (CID 660747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).