5-amino-1H-indole-2,3-dione;hydrochloride

C8H7ClN2O2 — CID 133055116

IUPAC5-amino-1H-indole-2,3-dione;hydrochloride
SMILESCl.Nc1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C8H6N2O2.ClH/c9-4-1-2-6-5(3-4)7(11)8(12)10-6;/h1-3H,9H2,(H,10,11,12);1H
InChIKeyCWEHYENWEHAPAN-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.83
Rot. Bonds

About 5-amino-1H-indole-2,3-dione;hydrochloride

5-amino-1H-indole-2,3-dione;hydrochloride (PubChem CID 133055116) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 5-amino-1H-indole-2,3-dione;hydrochloride.

Molecular Properties

Compound Name5-amino-1H-indole-2,3-dione;hydrochloride
PubChem CID133055116
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name5-amino-1H-indole-2,3-dione;hydrochloride
SMILESCl.Nc1ccc2c(c1)C(=O)C(=O)N2
InChIInChI=1S/C8H6N2O2.ClH/c9-4-1-2-6-5(3-4)7(11)8(12)10-6;/h1-3H,9H2,(H,10,11,12);1H
InChIKeyCWEHYENWEHAPAN-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-aminoisoquinoline-1,3,4-trione
CID 88972185
ethane;5-methyl-1H-indole-2,3-dione
CID 167465051
CID 88931083
CID 88931083
5-aminoisoindole-1,3-dione;hydrochloride
CID 44723776
5-bromo-1H-indole-2,3-dione;methane
CID 175094676
2,3-dioxo-1H-indole-5-sulfonic acid;hydrochloride
CID 87793086
2,3-dioxo-1H-indole-5-carbonyl chloride
CID 58833990
methane;5-nitro-1H-indole-2,3-dione
CID 174942814
5-(3,4-dichlorophenyl)-1H-indole-2,3-dione
CID 16768769
(3E)-5-amino-3-(furan-2-ylmethylidene)-1H-indol-2-one
CID 71680549
5-(2-methylpropyl)-1H-indole-2,3-dione
CID 13036487
copper;1H-indole-2,3-dione
CID 70626411

Frequently Asked Questions

What is the IUPAC name of 5-amino-1H-indole-2,3-dione;hydrochloride?
The IUPAC name of 5-amino-1H-indole-2,3-dione;hydrochloride (CID 133055116) is 5-amino-1H-indole-2,3-dione;hydrochloride.
What is the SMILES notation for 5-amino-1H-indole-2,3-dione;hydrochloride?
The canonical SMILES for 5-amino-1H-indole-2,3-dione;hydrochloride is Cl.Nc1ccc2c(c1)C(=O)C(=O)N2.
What is the InChIKey of 5-amino-1H-indole-2,3-dione;hydrochloride?
The InChIKey is CWEHYENWEHAPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2.ClH/c9-4-1-2-6-5(3-4)7(11)8(12)10-6;/h1-3H,9H2,(H,10,11,12);1H.
What are the key properties of 5-amino-1H-indole-2,3-dione;hydrochloride?
5-amino-1H-indole-2,3-dione;hydrochloride has a molecular weight of 198.61 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1H-indole-2,3-dione;hydrochloride is sourced from PubChem (CID 133055116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).