4-amino-2-ethylisoindole-1,3-dione

C10H10N2O2 — CID 19097727

IUPAC4-amino-2-ethylisoindole-1,3-dione
SMILESCCN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C10H10N2O2/c1-2-12-9(13)6-4-3-5-7(11)8(6)10(12)14/h3-5H,2,11H2,1H3
InChIKeyQGOCMRQPPBKXBG-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.88
Rot. Bonds1

About 4-amino-2-ethylisoindole-1,3-dione

4-amino-2-ethylisoindole-1,3-dione (PubChem CID 19097727) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-amino-2-ethylisoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-2-ethylisoindole-1,3-dione
PubChem CID19097727
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-amino-2-ethylisoindole-1,3-dione
SMILESCCN1C(=O)c2cccc(N)c2C1=O
InChIInChI=1S/C10H10N2O2/c1-2-12-9(13)6-4-3-5-7(11)8(6)10(12)14/h3-5H,2,11H2,1H3
InChIKeyQGOCMRQPPBKXBG-UHFFFAOYSA-N
XLogP0.88
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethylisoindole-1,3-dione?
The IUPAC name of 4-amino-2-ethylisoindole-1,3-dione (CID 19097727) is 4-amino-2-ethylisoindole-1,3-dione.
What is the SMILES notation for 4-amino-2-ethylisoindole-1,3-dione?
The canonical SMILES for 4-amino-2-ethylisoindole-1,3-dione is CCN1C(=O)c2cccc(N)c2C1=O.
What is the InChIKey of 4-amino-2-ethylisoindole-1,3-dione?
The InChIKey is QGOCMRQPPBKXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-2-12-9(13)6-4-3-5-7(11)8(6)10(12)14/h3-5H,2,11H2,1H3.
What are the key properties of 4-amino-2-ethylisoindole-1,3-dione?
4-amino-2-ethylisoindole-1,3-dione has a molecular weight of 190.20 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethylisoindole-1,3-dione is sourced from PubChem (CID 19097727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).