N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide

C10H8N2O4 — CID 119088471

IUPACN-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1O)NC(=O)C2=O
InChIInChI=1S/C10H8N2O4/c1-4(13)11-7-2-5-6(3-8(7)14)12-10(16)9(5)15/h2-3,14H,1H3,(H,11,13)(H,12,15,16)
InChIKeyRYCKTQUSQQTGEJ-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.49
Rot. Bonds1

About N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide

N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide (PubChem CID 119088471) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide
PubChem CID119088471
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC NameN-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide
SMILESCC(=O)Nc1cc2c(cc1O)NC(=O)C2=O
InChIInChI=1S/C10H8N2O4/c1-4(13)11-7-2-5-6(3-8(7)14)12-10(16)9(5)15/h2-3,14H,1H3,(H,11,13)(H,12,15,16)
InChIKeyRYCKTQUSQQTGEJ-UHFFFAOYSA-N
XLogP0.49
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide?
The IUPAC name of N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide (CID 119088471) is N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide.
What is the SMILES notation for N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide?
The canonical SMILES for N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide is CC(=O)Nc1cc2c(cc1O)NC(=O)C2=O.
What is the InChIKey of N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide?
The InChIKey is RYCKTQUSQQTGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-4(13)11-7-2-5-6(3-8(7)14)12-10(16)9(5)15/h2-3,14H,1H3,(H,11,13)(H,12,15,16).
What are the key properties of N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide?
N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide has a molecular weight of 220.18 g/mol, XLogP of 0.49, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxy-2,3-dioxo-1H-indol-5-yl)acetamide is sourced from PubChem (CID 119088471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).