N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide

C8H9NO4 — CID 90672508

IUPACN-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(=O)c(O)co1
InChIInChI=1S/C8H9NO4/c1-5(10)9-3-6-2-7(11)8(12)4-13-6/h2,4,12H,3H2,1H3,(H,9,10)
InChIKeyYQYQLORQYJZUGW-UHFFFAOYSA-N
MW183.16 g/mol
LogP-0.02
Rot. Bonds2

About N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide

N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide (PubChem CID 90672508) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide
PubChem CID90672508
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC NameN-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide
SMILESCC(=O)NCc1cc(=O)c(O)co1
InChIInChI=1S/C8H9NO4/c1-5(10)9-3-6-2-7(11)8(12)4-13-6/h2,4,12H,3H2,1H3,(H,9,10)
InChIKeyYQYQLORQYJZUGW-UHFFFAOYSA-N
XLogP-0.02
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide?
The IUPAC name of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide (CID 90672508) is N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide.
What is the SMILES notation for N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide?
The canonical SMILES for N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide is CC(=O)NCc1cc(=O)c(O)co1.
What is the InChIKey of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide?
The InChIKey is YQYQLORQYJZUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-5(10)9-3-6-2-7(11)8(12)4-13-6/h2,4,12H,3H2,1H3,(H,9,10).
What are the key properties of N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide?
N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide has a molecular weight of 183.16 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide is sourced from PubChem (CID 90672508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).