5-chloro-1-propylindole-2,3-dione

C11H10ClNO2 — CID 2988281

IUPAC5-chloro-1-propylindole-2,3-dione
SMILESCCCN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C11H10ClNO2/c1-2-5-13-9-4-3-7(12)6-8(9)10(14)11(13)15/h3-4,6H,2,5H2,1H3
InChIKeyUBUDFCOJUVSSHV-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.28
Rot. Bonds2

About 5-chloro-1-propylindole-2,3-dione

5-chloro-1-propylindole-2,3-dione (PubChem CID 2988281) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 5-chloro-1-propylindole-2,3-dione.

Molecular Properties

Compound Name5-chloro-1-propylindole-2,3-dione
PubChem CID2988281
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name5-chloro-1-propylindole-2,3-dione
SMILESCCCN1C(=O)C(=O)c2cc(Cl)ccc21
InChIInChI=1S/C11H10ClNO2/c1-2-5-13-9-4-3-7(12)6-8(9)10(14)11(13)15/h3-4,6H,2,5H2,1H3
InChIKeyUBUDFCOJUVSSHV-UHFFFAOYSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acetylisatin
CID 11321
1-Methylisatin
CID 16358
5,7-Dichloro-1H-indole-2,3-dione
CID 80771
1-(4-Chlorobenzyl)-1H-indole-2,3-dione
CID 277990
1-Benzylisatin
CID 264734
1-hexadecyl-1H-indole-2,3-dione
CID 3772674
5-chloro-1H-indole-2,3-dione
CID 87203
4-Chloroisatin
CID 96047
Indole-2,3-dione, 1-(hydroxymethyl)-
CID 39834
7-Chloroisatin
CID 344135
1-Phenethylindoline-2,3-dione
CID 1894707
1-Dodecylindoline-2,3-dione
CID 1897797

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propylindole-2,3-dione?
The IUPAC name of 5-chloro-1-propylindole-2,3-dione (CID 2988281) is 5-chloro-1-propylindole-2,3-dione.
What is the SMILES notation for 5-chloro-1-propylindole-2,3-dione?
The canonical SMILES for 5-chloro-1-propylindole-2,3-dione is CCCN1C(=O)C(=O)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-1-propylindole-2,3-dione?
The InChIKey is UBUDFCOJUVSSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-5-13-9-4-3-7(12)6-8(9)10(14)11(13)15/h3-4,6H,2,5H2,1H3.
What are the key properties of 5-chloro-1-propylindole-2,3-dione?
5-chloro-1-propylindole-2,3-dione has a molecular weight of 223.66 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propylindole-2,3-dione is sourced from PubChem (CID 2988281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).