3-acetyl-2,3-dihydroisoindol-1-one

C10H9NO2 — CID 58837111

IUPAC3-acetyl-2,3-dihydroisoindol-1-one
SMILESCC(=O)C1NC(=O)c2ccccc21
InChIInChI=1S/C10H9NO2/c1-6(12)9-7-4-2-3-5-8(7)10(13)11-9/h2-5,9H,1H3,(H,11,13)
InChIKeyYDOOXCWUZNIKKX-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.06
Rot. Bonds1

About 3-acetyl-2,3-dihydroisoindol-1-one

3-acetyl-2,3-dihydroisoindol-1-one (PubChem CID 58837111) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-acetyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-acetyl-2,3-dihydroisoindol-1-one
PubChem CID58837111
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-acetyl-2,3-dihydroisoindol-1-one
SMILESCC(=O)C1NC(=O)c2ccccc21
InChIInChI=1S/C10H9NO2/c1-6(12)9-7-4-2-3-5-8(7)10(13)11-9/h2-5,9H,1H3,(H,11,13)
InChIKeyYDOOXCWUZNIKKX-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-acetyl-2,3-dihydroisoindol-1-one (CID 58837111) is 3-acetyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-acetyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-acetyl-2,3-dihydroisoindol-1-one is CC(=O)C1NC(=O)c2ccccc21.
What is the InChIKey of 3-acetyl-2,3-dihydroisoindol-1-one?
The InChIKey is YDOOXCWUZNIKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6(12)9-7-4-2-3-5-8(7)10(13)11-9/h2-5,9H,1H3,(H,11,13).
What are the key properties of 3-acetyl-2,3-dihydroisoindol-1-one?
3-acetyl-2,3-dihydroisoindol-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 58837111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).