6-chloro-1-(5-hydroxypentyl)indole-2,3-dione

C13H14ClNO3 — CID 55134041

IUPAC6-chloro-1-(5-hydroxypentyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCO)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClNO3/c14-9-4-5-10-11(8-9)15(13(18)12(10)17)6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2
InChIKeyLACXXGXEGBLLPS-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.03
Rot. Bonds5

About 6-chloro-1-(5-hydroxypentyl)indole-2,3-dione

6-chloro-1-(5-hydroxypentyl)indole-2,3-dione (PubChem CID 55134041) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 6-chloro-1-(5-hydroxypentyl)indole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-(5-hydroxypentyl)indole-2,3-dione
PubChem CID55134041
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name6-chloro-1-(5-hydroxypentyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCCCCO)c2cc(Cl)ccc21
InChIInChI=1S/C13H14ClNO3/c14-9-4-5-10-11(8-9)15(13(18)12(10)17)6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2
InChIKeyLACXXGXEGBLLPS-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(5-hydroxypentyl)indole-2,3-dione?
The IUPAC name of 6-chloro-1-(5-hydroxypentyl)indole-2,3-dione (CID 55134041) is 6-chloro-1-(5-hydroxypentyl)indole-2,3-dione.
What is the SMILES notation for 6-chloro-1-(5-hydroxypentyl)indole-2,3-dione?
The canonical SMILES for 6-chloro-1-(5-hydroxypentyl)indole-2,3-dione is O=C1C(=O)N(CCCCCO)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-(5-hydroxypentyl)indole-2,3-dione?
The InChIKey is LACXXGXEGBLLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-9-4-5-10-11(8-9)15(13(18)12(10)17)6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2.
What are the key properties of 6-chloro-1-(5-hydroxypentyl)indole-2,3-dione?
6-chloro-1-(5-hydroxypentyl)indole-2,3-dione has a molecular weight of 267.71 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(5-hydroxypentyl)indole-2,3-dione is sourced from PubChem (CID 55134041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).