5-chloro-4-propan-2-ylisoindole-1,3-dione

C11H10ClNO2 — CID 170676311

IUPAC5-chloro-4-propan-2-ylisoindole-1,3-dione
SMILESCC(C)c1c(Cl)ccc2c1C(=O)NC2=O
InChIInChI=1S/C11H10ClNO2/c1-5(2)8-7(12)4-3-6-9(8)11(15)13-10(6)14/h3-5H,1-2H3,(H,13,14,15)
InChIKeyXXOHVNOPFYXXHB-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.35
Rot. Bonds1

About 5-chloro-4-propan-2-ylisoindole-1,3-dione

5-chloro-4-propan-2-ylisoindole-1,3-dione (PubChem CID 170676311) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 5-chloro-4-propan-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-chloro-4-propan-2-ylisoindole-1,3-dione
PubChem CID170676311
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name5-chloro-4-propan-2-ylisoindole-1,3-dione
SMILESCC(C)c1c(Cl)ccc2c1C(=O)NC2=O
InChIInChI=1S/C11H10ClNO2/c1-5(2)8-7(12)4-3-6-9(8)11(15)13-10(6)14/h3-5H,1-2H3,(H,13,14,15)
InChIKeyXXOHVNOPFYXXHB-UHFFFAOYSA-N
XLogP2.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.35
H-Bond Donors ≤ 51
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 5-chloro-4-propan-2-ylisoindole-1,3-dione?
The IUPAC name of 5-chloro-4-propan-2-ylisoindole-1,3-dione (CID 170676311) is 5-chloro-4-propan-2-ylisoindole-1,3-dione.
What is the SMILES notation for 5-chloro-4-propan-2-ylisoindole-1,3-dione?
The canonical SMILES for 5-chloro-4-propan-2-ylisoindole-1,3-dione is CC(C)c1c(Cl)ccc2c1C(=O)NC2=O.
What is the InChIKey of 5-chloro-4-propan-2-ylisoindole-1,3-dione?
The InChIKey is XXOHVNOPFYXXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-5(2)8-7(12)4-3-6-9(8)11(15)13-10(6)14/h3-5H,1-2H3,(H,13,14,15).
What are the key properties of 5-chloro-4-propan-2-ylisoindole-1,3-dione?
5-chloro-4-propan-2-ylisoindole-1,3-dione has a molecular weight of 223.66 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-propan-2-ylisoindole-1,3-dione is sourced from PubChem (CID 170676311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).