5-amino-6-chloro-2-ethylisoindole-1,3-dione

C10H9ClN2O2 — CID 19097711

IUPAC5-amino-6-chloro-2-ethylisoindole-1,3-dione
SMILESCCN1C(=O)c2cc(N)c(Cl)cc2C1=O
InChIInChI=1S/C10H9ClN2O2/c1-2-13-9(14)5-3-7(11)8(12)4-6(5)10(13)15/h3-4H,2,12H2,1H3
InChIKeyNAMLSNWWKXZJHK-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.54
Rot. Bonds1

About 5-amino-6-chloro-2-ethylisoindole-1,3-dione

5-amino-6-chloro-2-ethylisoindole-1,3-dione (PubChem CID 19097711) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 5-amino-6-chloro-2-ethylisoindole-1,3-dione.

Molecular Properties

Compound Name5-amino-6-chloro-2-ethylisoindole-1,3-dione
PubChem CID19097711
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name5-amino-6-chloro-2-ethylisoindole-1,3-dione
SMILESCCN1C(=O)c2cc(N)c(Cl)cc2C1=O
InChIInChI=1S/C10H9ClN2O2/c1-2-13-9(14)5-3-7(11)8(12)4-6(5)10(13)15/h3-4H,2,12H2,1H3
InChIKeyNAMLSNWWKXZJHK-UHFFFAOYSA-N
XLogP1.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.54
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 5-amino-6-chloro-2-ethylisoindole-1,3-dione?
The IUPAC name of 5-amino-6-chloro-2-ethylisoindole-1,3-dione (CID 19097711) is 5-amino-6-chloro-2-ethylisoindole-1,3-dione.
What is the SMILES notation for 5-amino-6-chloro-2-ethylisoindole-1,3-dione?
The canonical SMILES for 5-amino-6-chloro-2-ethylisoindole-1,3-dione is CCN1C(=O)c2cc(N)c(Cl)cc2C1=O.
What is the InChIKey of 5-amino-6-chloro-2-ethylisoindole-1,3-dione?
The InChIKey is NAMLSNWWKXZJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-2-13-9(14)5-3-7(11)8(12)4-6(5)10(13)15/h3-4H,2,12H2,1H3.
What are the key properties of 5-amino-6-chloro-2-ethylisoindole-1,3-dione?
5-amino-6-chloro-2-ethylisoindole-1,3-dione has a molecular weight of 224.65 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-2-ethylisoindole-1,3-dione is sourced from PubChem (CID 19097711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).