2-(1,3-dioxoisoindol-2-yl)acetamide

C10H8N2O3 — CID 21053

IUPAC2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H8N2O3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2,(H2,11,13)
InChIKeyOGDWOTGXUXNSQA-UHFFFAOYSA-N
MW204.19 g/mol
LogP-0.23
Rot. Bonds2

About 2-(1,3-dioxoisoindol-2-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 21053) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID21053
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H8N2O3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2,(H2,11,13)
InChIKeyOGDWOTGXUXNSQA-UHFFFAOYSA-N
XLogP-0.23
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thalidomide
CID 5426
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Phthalimidine
CID 10199
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
N-Phthaloylglycine
CID 20825

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)acetamide (CID 21053) is 2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)acetamide is NC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is OGDWOTGXUXNSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2,(H2,11,13).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 204.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 21053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).