2-ethylisoindole-1,3-dione

C10H9NO2 — CID 21120

IUPAC2-ethylisoindole-1,3-dione
SMILESCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H9NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3
InChIKeyJZDSOQSUCWVBMV-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.30
Rot. Bonds1

About 2-ethylisoindole-1,3-dione

2-ethylisoindole-1,3-dione (PubChem CID 21120) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-ethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-ethylisoindole-1,3-dione
PubChem CID21120
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-ethylisoindole-1,3-dione
SMILESCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H9NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3
InChIKeyJZDSOQSUCWVBMV-UHFFFAOYSA-N
XLogP1.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylisoindole-1,3-dione?
The IUPAC name of 2-ethylisoindole-1,3-dione (CID 21120) is 2-ethylisoindole-1,3-dione.
What is the SMILES notation for 2-ethylisoindole-1,3-dione?
The canonical SMILES for 2-ethylisoindole-1,3-dione is CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-ethylisoindole-1,3-dione?
The InChIKey is JZDSOQSUCWVBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h3-6H,2H2,1H3.
What are the key properties of 2-ethylisoindole-1,3-dione?
2-ethylisoindole-1,3-dione has a molecular weight of 175.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylisoindole-1,3-dione is sourced from PubChem (CID 21120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).