1-ethyl-2H-indol-3-one

C10H11NO — CID 22323565

IUPAC1-ethyl-2H-indol-3-one
SMILESCCN1CC(=O)c2ccccc21
InChIInChI=1S/C10H11NO/c1-2-11-7-10(12)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
InChIKeyYAAJOPZNLNIXHX-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.71
Rot. Bonds1

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

1-ethyl-2H-indol-3-one (PubChem CID 22323565) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 1-ethyl-2H-indol-3-one.

Molecular Properties

Compound Name1-ethyl-2H-indol-3-one
PubChem CID22323565
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name1-ethyl-2H-indol-3-one
SMILESCCN1CC(=O)c2ccccc21
InChIInChI=1S/C10H11NO/c1-2-11-7-10(12)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
InChIKeyYAAJOPZNLNIXHX-UHFFFAOYSA-N
XLogP1.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2H-indol-3-one?
The IUPAC name of 1-ethyl-2H-indol-3-one (CID 22323565) is 1-ethyl-2H-indol-3-one.
What is the SMILES notation for 1-ethyl-2H-indol-3-one?
The canonical SMILES for 1-ethyl-2H-indol-3-one is CCN1CC(=O)c2ccccc21.
What is the InChIKey of 1-ethyl-2H-indol-3-one?
The InChIKey is YAAJOPZNLNIXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-2-11-7-10(12)8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3.
What are the key properties of 1-ethyl-2H-indol-3-one?
1-ethyl-2H-indol-3-one has a molecular weight of 161.20 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2H-indol-3-one is sourced from PubChem (CID 22323565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).