5-ethoxyindol-2-one

C10H9NO2 — CID 23212399

IUPAC5-ethoxyindol-2-one
SMILESCCOc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C10H9NO2/c1-2-13-8-3-4-9-7(5-8)6-10(12)11-9/h3-6H,2H2,1H3
InChIKeyKZPFJATVUHMANN-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.03
Rot. Bonds2

About 5-ethoxyindol-2-one

5-ethoxyindol-2-one (PubChem CID 23212399) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-ethoxyindol-2-one.

Molecular Properties

Compound Name5-ethoxyindol-2-one
PubChem CID23212399
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-ethoxyindol-2-one
SMILESCCOc1ccc2c(c1)=CC(=O)N=2
InChIInChI=1S/C10H9NO2/c1-2-13-8-3-4-9-7(5-8)6-10(12)11-9/h3-6H,2H2,1H3
InChIKeyKZPFJATVUHMANN-UHFFFAOYSA-N
XLogP0.03
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,7-diethoxy-10H-acridin-9-one
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CID 118978197
3-(4-ethoxyphenoxy)-1H-pyrazin-2-one
CID 103240950
(4-ethoxy-2-formylphenyl)boronic acid
CID 52987974
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Frequently Asked Questions

What is the IUPAC name of 5-ethoxyindol-2-one?
The IUPAC name of 5-ethoxyindol-2-one (CID 23212399) is 5-ethoxyindol-2-one.
What is the SMILES notation for 5-ethoxyindol-2-one?
The canonical SMILES for 5-ethoxyindol-2-one is CCOc1ccc2c(c1)=CC(=O)N=2.
What is the InChIKey of 5-ethoxyindol-2-one?
The InChIKey is KZPFJATVUHMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-13-8-3-4-9-7(5-8)6-10(12)11-9/h3-6H,2H2,1H3.
What are the key properties of 5-ethoxyindol-2-one?
5-ethoxyindol-2-one has a molecular weight of 175.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxyindol-2-one is sourced from PubChem (CID 23212399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).