1-acetyl-2H-indol-3-one

C10H9NO2 — CID 538819

IUPAC1-acetyl-2H-indol-3-one
SMILESCC(=O)N1CC(=O)c2ccccc21
InChIInChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3
InChIKeyAUMJJQZNOVOCGY-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.24
Rot. Bonds

About 1-acetyl-2H-indol-3-one

1-acetyl-2H-indol-3-one (PubChem CID 538819) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-acetyl-2H-indol-3-one.

Molecular Properties

Compound Name1-acetyl-2H-indol-3-one
PubChem CID538819
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name1-acetyl-2H-indol-3-one
SMILESCC(=O)N1CC(=O)c2ccccc21
InChIInChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3
InChIKeyAUMJJQZNOVOCGY-UHFFFAOYSA-N
XLogP1.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2H-indol-3-one?
The IUPAC name of 1-acetyl-2H-indol-3-one (CID 538819) is 1-acetyl-2H-indol-3-one.
What is the SMILES notation for 1-acetyl-2H-indol-3-one?
The canonical SMILES for 1-acetyl-2H-indol-3-one is CC(=O)N1CC(=O)c2ccccc21.
What is the InChIKey of 1-acetyl-2H-indol-3-one?
The InChIKey is AUMJJQZNOVOCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-7(12)11-6-10(13)8-4-2-3-5-9(8)11/h2-5H,6H2,1H3.
What are the key properties of 1-acetyl-2H-indol-3-one?
1-acetyl-2H-indol-3-one has a molecular weight of 175.19 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2H-indol-3-one is sourced from PubChem (CID 538819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).