N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide

C7H9NO4 — CID 54689137

IUPACN-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide
SMILESCC(=O)NC1=C(O)C(C)OC1=O
InChIInChI=1S/C7H9NO4/c1-3-6(10)5(7(11)12-3)8-4(2)9/h3,10H,1-2H3,(H,8,9)
InChIKeyLUQUVNMHZDLRDP-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.16
Rot. Bonds1

About N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide

N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide (PubChem CID 54689137) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide
PubChem CID54689137
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC NameN-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide
SMILESCC(=O)NC1=C(O)C(C)OC1=O
InChIInChI=1S/C7H9NO4/c1-3-6(10)5(7(11)12-3)8-4(2)9/h3,10H,1-2H3,(H,8,9)
InChIKeyLUQUVNMHZDLRDP-UHFFFAOYSA-N
XLogP-0.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-2-methyl-2H-furan-5-one
CID 54676244
CID 172764488
CID 172764488
3-hydroxy-2-methyl-4-nitro-2H-furan-5-one
CID 71330785
4-[N-(3,4-dimethylphenyl)-C-methylcarbonimidoyl]-3-hydroxy-2-methyl-2H-furan-5-one
CID 135421097
6-methyl-1,4-dioxane-2,3,5-trione
CID 87163287
4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;4-acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)
CID 54713773
4-acetyl-3-hydroxy-2-methyl-2H-furan-5-one;[(1R,2R)-2-methanidylcyclohexyl]azanide;platinum(2+)
CID 158983442
4-hydroxy-2-methyl-3-phenyl-2H-furan-5-one
CID 13439272
N-(3-hydroxy-1-methyl-5-oxo-2H-pyrrol-4-yl)acetamide
CID 101043112
(2R)-3-hydroxy-2-methyl-4-[14-[(2R)-2-methyl-5-oxo-2H-furan-4-yl]tetradecyl]-2H-furan-5-one
CID 54688190
methyl 2-methyl-5-oxo-3-phenyl-2H-furan-4-carboxylate
CID 165364058
N-(3-anilino-1,4-dioxonaphthalen-2-yl)acetamide
CID 10662413

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide?
The IUPAC name of N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide (CID 54689137) is N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide is CC(=O)NC1=C(O)C(C)OC1=O.
What is the InChIKey of N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide?
The InChIKey is LUQUVNMHZDLRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-3-6(10)5(7(11)12-3)8-4(2)9/h3,10H,1-2H3,(H,8,9).
What are the key properties of N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide?
N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide has a molecular weight of 171.15 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methyl-5-oxo-2H-furan-4-yl)acetamide is sourced from PubChem (CID 54689137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).