N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide

C10H8N2O4 — CID 100916426

IUPACN-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(O)C2=O
InChIInChI=1S/C10H8N2O4/c1-5(13)11-6-2-3-7-8(4-6)10(15)12(16)9(7)14/h2-4,16H,1H3,(H,11,13)
InChIKeyOFBPVBUBJSENAS-UHFFFAOYSA-N
MW220.18 g/mol
LogP0.63
Rot. Bonds1

About N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide

N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide (PubChem CID 100916426) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide
PubChem CID100916426
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC NameN-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(=O)N(O)C2=O
InChIInChI=1S/C10H8N2O4/c1-5(13)11-6-2-3-7-8(4-6)10(15)12(16)9(7)14/h2-4,16H,1H3,(H,11,13)
InChIKeyOFBPVBUBJSENAS-UHFFFAOYSA-N
XLogP0.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(5-acetamido-1,3-dioxoisoindol-2-yl)acetic acid
CID 94831603
N-(6,7-dihydroxy-5,8-dioxonaphthalen-2-yl)acetamide
CID 135839434
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024
N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)-3-methylphenyl]acetamide
CID 19169546
3-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-3-oxopropanoic acid
CID 62230900
1-ethyl-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 24664343
aniline;N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
CID 159636176
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
3-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 18070369
2-ethyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)butanamide
CID 110732693
N-[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]ethyl]acetamide
CID 103604422
CID 66974961
CID 66974961

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide?
The IUPAC name of N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide (CID 100916426) is N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide.
What is the SMILES notation for N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide?
The canonical SMILES for N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide is CC(=O)Nc1ccc2c(c1)C(=O)N(O)C2=O.
What is the InChIKey of N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide?
The InChIKey is OFBPVBUBJSENAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-5(13)11-6-2-3-7-8(4-6)10(15)12(16)9(7)14/h2-4,16H,1H3,(H,11,13).
What are the key properties of N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide?
N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide has a molecular weight of 220.18 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1,3-dioxoisoindol-5-yl)acetamide is sourced from PubChem (CID 100916426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).