2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C10H10N2O2 — CID 2833078

IUPAC2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESNC(=O)CC1NC(=O)c2ccccc21
InChIInChI=1S/C10H10N2O2/c11-9(13)5-8-6-3-1-2-4-7(6)10(14)12-8/h1-4,8H,5H2,(H2,11,13)(H,12,14)
InChIKeyAJEGLPHDCIMJPT-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.35
Rot. Bonds2

About 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 2833078) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID2833078
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESNC(=O)CC1NC(=O)c2ccccc21
InChIInChI=1S/C10H10N2O2/c11-9(13)5-8-6-3-1-2-4-7(6)10(14)12-8/h1-4,8H,5H2,(H2,11,13)(H,12,14)
InChIKeyAJEGLPHDCIMJPT-UHFFFAOYSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 2833078) is 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is NC(=O)CC1NC(=O)c2ccccc21.
What is the InChIKey of 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is AJEGLPHDCIMJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-9(13)5-8-6-3-1-2-4-7(6)10(14)12-8/h1-4,8H,5H2,(H2,11,13)(H,12,14).
What are the key properties of 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 190.20 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 2833078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).