5-acetylindol-2-one

C10H7NO2 — CID 150827961

IUPAC5-acetylindol-2-one
SMILESCC(=O)c1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C10H7NO2/c1-6(12)7-2-3-9-8(4-7)5-10(13)11-9/h2-5H,1H3
InChIKeyKLIHFYTVGUJURI-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.17
Rot. Bonds1

About 5-acetylindol-2-one

5-acetylindol-2-one (PubChem CID 150827961) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 5-acetylindol-2-one.

Molecular Properties

Compound Name5-acetylindol-2-one
PubChem CID150827961
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name5-acetylindol-2-one
SMILESCC(=O)c1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C10H7NO2/c1-6(12)7-2-3-9-8(4-7)5-10(13)11-9/h2-5H,1H3
InChIKeyKLIHFYTVGUJURI-UHFFFAOYSA-N
XLogP-0.17
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetylindol-2-one?
The IUPAC name of 5-acetylindol-2-one (CID 150827961) is 5-acetylindol-2-one.
What is the SMILES notation for 5-acetylindol-2-one?
The canonical SMILES for 5-acetylindol-2-one is CC(=O)c1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 5-acetylindol-2-one?
The InChIKey is KLIHFYTVGUJURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c1-6(12)7-2-3-9-8(4-7)5-10(13)11-9/h2-5H,1H3.
What are the key properties of 5-acetylindol-2-one?
5-acetylindol-2-one has a molecular weight of 173.17 g/mol, XLogP of -0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetylindol-2-one is sourced from PubChem (CID 150827961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).