4,7-dichloro-1-hexylindole-2,3-dione

C14H15Cl2NO2 — CID 106988640

IUPAC4,7-dichloro-1-hexylindole-2,3-dione
SMILESCCCCCCN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C14H15Cl2NO2/c1-2-3-4-5-8-17-12-10(16)7-6-9(15)11(12)13(18)14(17)19/h6-7H,2-5,8H2,1H3
InChIKeyIIYXTHOUTAILRY-UHFFFAOYSA-N
MW300.18 g/mol
LogP4.10
Rot. Bonds5

About 4,7-dichloro-1-hexylindole-2,3-dione

4,7-dichloro-1-hexylindole-2,3-dione (PubChem CID 106988640) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.18 g/mol. Its IUPAC name is 4,7-dichloro-1-hexylindole-2,3-dione.

Molecular Properties

Compound Name4,7-dichloro-1-hexylindole-2,3-dione
PubChem CID106988640
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.18 g/mol
Exact Mass299.05
IUPAC Name4,7-dichloro-1-hexylindole-2,3-dione
SMILESCCCCCCN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C14H15Cl2NO2/c1-2-3-4-5-8-17-12-10(16)7-6-9(15)11(12)13(18)14(17)19/h6-7H,2-5,8H2,1H3
InChIKeyIIYXTHOUTAILRY-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione
CID 106988649
1-(4-bromobutyl)-4,7-dichloroindole-2,3-dione
CID 106988596
1-butyl-4-chloro-7-fluoroindole-2,3-dione
CID 61358887
4,7-dichloro-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 106988843
1-(2-butoxyethyl)-4-chloro-7-fluoroindole-2,3-dione
CID 61483159
2-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]prop-2-enoic acid
CID 106988578
4,7-dichloro-1-(3-methylbut-2-enyl)indole-2,3-dione
CID 106988651
2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 106988780
4,7-dichloro-1-(cyclopropylmethyl)indole-2,3-dione
CID 106988637
propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate
CID 106988552
1-heptyl-6,7-dimethylindole-2,3-dione
CID 61355246
ethyl (E)-4-(4,7-dichloro-2,3-dioxoindol-1-yl)but-2-enoate
CID 106988580

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1-hexylindole-2,3-dione?
The IUPAC name of 4,7-dichloro-1-hexylindole-2,3-dione (CID 106988640) is 4,7-dichloro-1-hexylindole-2,3-dione.
What is the SMILES notation for 4,7-dichloro-1-hexylindole-2,3-dione?
The canonical SMILES for 4,7-dichloro-1-hexylindole-2,3-dione is CCCCCCN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4,7-dichloro-1-hexylindole-2,3-dione?
The InChIKey is IIYXTHOUTAILRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-2-3-4-5-8-17-12-10(16)7-6-9(15)11(12)13(18)14(17)19/h6-7H,2-5,8H2,1H3.
What are the key properties of 4,7-dichloro-1-hexylindole-2,3-dione?
4,7-dichloro-1-hexylindole-2,3-dione has a molecular weight of 300.18 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1-hexylindole-2,3-dione is sourced from PubChem (CID 106988640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).