1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione

C15H18ClNO2 — CID 61356574

IUPAC1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione
SMILESCc1ccc2c(c1C)N(CCCCCCl)C(=O)C2=O
InChIInChI=1S/C15H18ClNO2/c1-10-6-7-12-13(11(10)2)17(15(19)14(12)18)9-5-3-4-8-16/h6-7H,3-5,8-9H2,1-2H3
InChIKeyGKCGIVUEKUICFH-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.24
Rot. Bonds5

About 1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione

1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione (PubChem CID 61356574) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione.

Molecular Properties

Compound Name1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione
PubChem CID61356574
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione
SMILESCc1ccc2c(c1C)N(CCCCCCl)C(=O)C2=O
InChIInChI=1S/C15H18ClNO2/c1-10-6-7-12-13(11(10)2)17(15(19)14(12)18)9-5-3-4-8-16/h6-7H,3-5,8-9H2,1-2H3
InChIKeyGKCGIVUEKUICFH-UHFFFAOYSA-N
XLogP3.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione?
The IUPAC name of 1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione (CID 61356574) is 1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione.
What is the SMILES notation for 1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione?
The canonical SMILES for 1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione is Cc1ccc2c(c1C)N(CCCCCCl)C(=O)C2=O.
What is the InChIKey of 1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione?
The InChIKey is GKCGIVUEKUICFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-10-6-7-12-13(11(10)2)17(15(19)14(12)18)9-5-3-4-8-16/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione?
1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione has a molecular weight of 279.77 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-6,7-dimethylindole-2,3-dione is sourced from PubChem (CID 61356574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).