5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one

C10H9Cl2NO — CID 166933181

IUPAC5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one
SMILESCC1c2cc(Cl)c(Cl)cc2C(=O)N1C
InChIInChI=1S/C10H9Cl2NO/c1-5-6-3-8(11)9(12)4-7(6)10(14)13(5)2/h3-5H,1-2H3
InChIKeyHPMUMHSFXAJUDA-UHFFFAOYSA-N
MW230.09 g/mol
LogP3.14
Rot. Bonds

About 5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one

5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one (PubChem CID 166933181) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one
PubChem CID166933181
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one
SMILESCC1c2cc(Cl)c(Cl)cc2C(=O)N1C
InChIInChI=1S/C10H9Cl2NO/c1-5-6-3-8(11)9(12)4-7(6)10(14)13(5)2/h3-5H,1-2H3
InChIKeyHPMUMHSFXAJUDA-UHFFFAOYSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one?
The IUPAC name of 5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one (CID 166933181) is 5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one.
What is the SMILES notation for 5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one?
The canonical SMILES for 5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one is CC1c2cc(Cl)c(Cl)cc2C(=O)N1C.
What is the InChIKey of 5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one?
The InChIKey is HPMUMHSFXAJUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-5-6-3-8(11)9(12)4-7(6)10(14)13(5)2/h3-5H,1-2H3.
What are the key properties of 5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one?
5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one has a molecular weight of 230.09 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one is sourced from PubChem (CID 166933181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).