5-chloro-4-methylisoindole-1,3-dione

C9H6ClNO2 — CID 54135966

IUPAC5-chloro-4-methylisoindole-1,3-dione
SMILESCc1c(Cl)ccc2c1C(=O)NC2=O
InChIInChI=1S/C9H6ClNO2/c1-4-6(10)3-2-5-7(4)9(13)11-8(5)12/h2-3H,1H3,(H,11,12,13)
InChIKeyNXSIVTJOWZFOHV-UHFFFAOYSA-N
MW195.60 g/mol
LogP1.53
Rot. Bonds

About 5-chloro-4-methylisoindole-1,3-dione

5-chloro-4-methylisoindole-1,3-dione (PubChem CID 54135966) has the molecular formula C9H6ClNO2 and a molecular weight of 195.60 g/mol. Its IUPAC name is 5-chloro-4-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-chloro-4-methylisoindole-1,3-dione
PubChem CID54135966
Molecular FormulaC9H6ClNO2
Molecular Weight195.60 g/mol
Exact Mass195.01
IUPAC Name5-chloro-4-methylisoindole-1,3-dione
SMILESCc1c(Cl)ccc2c1C(=O)NC2=O
InChIInChI=1S/C9H6ClNO2/c1-4-6(10)3-2-5-7(4)9(13)11-8(5)12/h2-3H,1H3,(H,11,12,13)
InChIKeyNXSIVTJOWZFOHV-UHFFFAOYSA-N
XLogP1.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-2,3-dihydro-1H-isoindol-1-one
CID 12496475
4-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 228085
4,5-Dichlorophthalimide
CID 251543
5-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 5148269
8-Chloro-4-methylbenzo[e]isoindole-1,3-dione
CID 45484140
4-Chloro-phthalimide
CID 231239
5-Chloroisoindolin-1-one
CID 19788108
7-chloro-2,3-dihydro-1H-isoindol-1-one
CID 22136835
4,5-dichloro-2,3-dihydro-1H-isoindol-1-one
CID 23346415
4-chloro-2,3-dihydro-1H-isoindol-1-one
CID 53404273
4-Chloroisoindoline-1,3-dione
CID 231238
N-methyl-4-chlorophthalimide
CID 246078

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methylisoindole-1,3-dione?
The IUPAC name of 5-chloro-4-methylisoindole-1,3-dione (CID 54135966) is 5-chloro-4-methylisoindole-1,3-dione.
What is the SMILES notation for 5-chloro-4-methylisoindole-1,3-dione?
The canonical SMILES for 5-chloro-4-methylisoindole-1,3-dione is Cc1c(Cl)ccc2c1C(=O)NC2=O.
What is the InChIKey of 5-chloro-4-methylisoindole-1,3-dione?
The InChIKey is NXSIVTJOWZFOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c1-4-6(10)3-2-5-7(4)9(13)11-8(5)12/h2-3H,1H3,(H,11,12,13).
What are the key properties of 5-chloro-4-methylisoindole-1,3-dione?
5-chloro-4-methylisoindole-1,3-dione has a molecular weight of 195.60 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methylisoindole-1,3-dione is sourced from PubChem (CID 54135966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).