7-bromo-1-pentylindole-2,3-dione

C13H14BrNO2 — CID 61356330

IUPAC7-bromo-1-pentylindole-2,3-dione
SMILESCCCCCN1C(=O)C(=O)c2cccc(Br)c21
InChIInChI=1S/C13H14BrNO2/c1-2-3-4-8-15-11-9(12(16)13(15)17)6-5-7-10(11)14/h5-7H,2-4,8H2,1H3
InChIKeyHBYFDWZGMPFSGN-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.17
Rot. Bonds4

About 7-bromo-1-pentylindole-2,3-dione

7-bromo-1-pentylindole-2,3-dione (PubChem CID 61356330) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is 7-bromo-1-pentylindole-2,3-dione.

Molecular Properties

Compound Name7-bromo-1-pentylindole-2,3-dione
PubChem CID61356330
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name7-bromo-1-pentylindole-2,3-dione
SMILESCCCCCN1C(=O)C(=O)c2cccc(Br)c21
InChIInChI=1S/C13H14BrNO2/c1-2-3-4-8-15-11-9(12(16)13(15)17)6-5-7-10(11)14/h5-7H,2-4,8H2,1H3
InChIKeyHBYFDWZGMPFSGN-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.17
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

7-bromo-1-(5-hydroxypentyl)indole-2,3-dione
CID 62226920
5,7-dibromo-1-octylindole-2,3-dione
CID 4730303
7-bromo-1-(2-hydroxyethyl)indole-2,3-dione
CID 61357109
1-nonyl-7-phenylindole-2,3-dione
CID 508422
7-bromo-1-[2-(methylamino)ethyl]indole-2,3-dione
CID 61387766
7-bromo-1-(2-methoxyethyl)indole-2,3-dione
CID 60726633
6-(7-bromo-2,3-dioxoindol-1-yl)-2,2-dimethylhexanenitrile
CID 106712913
7-bromo-1-pent-3-ynylindole-2,3-dione
CID 104808154
7-bromo-1-(2-methylidenebutyl)indole-2,3-dione
CID 66046443
methyl 2-(7-bromo-2,3-dioxoindol-1-yl)acetate
CID 61355610
2-(7-bromo-2,3-dioxoindol-1-yl)-N-ethyl-N-methylacetamide
CID 61356667
1-heptyl-6,7-dimethylindole-2,3-dione
CID 61355246

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-pentylindole-2,3-dione?
The IUPAC name of 7-bromo-1-pentylindole-2,3-dione (CID 61356330) is 7-bromo-1-pentylindole-2,3-dione.
What is the SMILES notation for 7-bromo-1-pentylindole-2,3-dione?
The canonical SMILES for 7-bromo-1-pentylindole-2,3-dione is CCCCCN1C(=O)C(=O)c2cccc(Br)c21.
What is the InChIKey of 7-bromo-1-pentylindole-2,3-dione?
The InChIKey is HBYFDWZGMPFSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c1-2-3-4-8-15-11-9(12(16)13(15)17)6-5-7-10(11)14/h5-7H,2-4,8H2,1H3.
What are the key properties of 7-bromo-1-pentylindole-2,3-dione?
7-bromo-1-pentylindole-2,3-dione has a molecular weight of 296.16 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-pentylindole-2,3-dione is sourced from PubChem (CID 61356330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).