N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide

C11H9NO4 — CID 660186

IUPACN-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(=O)oc1
InChIInChI=1S/C11H9NO4/c13-10-4-3-8(7-16-10)11(14)12-6-9-2-1-5-15-9/h1-5,7H,6H2,(H,12,14)
InChIKeyFMGIKUUNEULXBJ-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.16
Rot. Bonds3

About N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide

N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide (PubChem CID 660186) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide
PubChem CID660186
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC NameN-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccc(=O)oc1
InChIInChI=1S/C11H9NO4/c13-10-4-3-8(7-16-10)11(14)12-6-9-2-1-5-15-9/h1-5,7H,6H2,(H,12,14)
InChIKeyFMGIKUUNEULXBJ-UHFFFAOYSA-N
XLogP1.16
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide (CID 660186) is N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide is O=C(NCc1ccco1)c1ccc(=O)oc1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide?
The InChIKey is FMGIKUUNEULXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-10-4-3-8(7-16-10)11(14)12-6-9-2-1-5-15-9/h1-5,7H,6H2,(H,12,14).
What are the key properties of N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide?
N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide has a molecular weight of 219.20 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 660186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).