3-acetylindol-2-one

C10H7NO2 — CID 130031888

IUPAC3-acetylindol-2-one
SMILESCC(=O)C1=c2ccccc2=NC1=O
InChIInChI=1S/C10H7NO2/c1-6(12)9-7-4-2-3-5-8(7)11-10(9)13/h2-5H,1H3
InChIKeyKKKDPDOWJWEGOW-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.41
Rot. Bonds1

About 3-acetylindol-2-one

3-acetylindol-2-one (PubChem CID 130031888) has the molecular formula C10H7NO2 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-acetylindol-2-one.

Molecular Properties

Compound Name3-acetylindol-2-one
PubChem CID130031888
Molecular FormulaC10H7NO2
Molecular Weight173.17 g/mol
Exact Mass173.05
IUPAC Name3-acetylindol-2-one
SMILESCC(=O)C1=c2ccccc2=NC1=O
InChIInChI=1S/C10H7NO2/c1-6(12)9-7-4-2-3-5-8(7)11-10(9)13/h2-5H,1H3
InChIKeyKKKDPDOWJWEGOW-UHFFFAOYSA-N
XLogP-0.41
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 ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Methylquinolonone
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5-Fluoro-3-methylindol-2-one
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1-Benzazepine-2,4-dione
CID 17875278
5-Methylindol-2-one
CID 21839581
3-Ethylindol-2-one
CID 21986279
3-Propylindol-2-one
CID 53932850
Iridium;6-phenylpyridine-2,5-dione
CID 58983304
3-Prop-2-enylindol-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-acetylindol-2-one?
The IUPAC name of 3-acetylindol-2-one (CID 130031888) is 3-acetylindol-2-one.
What is the SMILES notation for 3-acetylindol-2-one?
The canonical SMILES for 3-acetylindol-2-one is CC(=O)C1=c2ccccc2=NC1=O.
What is the InChIKey of 3-acetylindol-2-one?
The InChIKey is KKKDPDOWJWEGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2/c1-6(12)9-7-4-2-3-5-8(7)11-10(9)13/h2-5H,1H3.
What are the key properties of 3-acetylindol-2-one?
3-acetylindol-2-one has a molecular weight of 173.17 g/mol, XLogP of -0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetylindol-2-one is sourced from PubChem (CID 130031888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).