5-amino-1-methyl-3H-indol-2-one;hydrochloride

C9H11ClN2O — CID 86812306

IUPAC5-amino-1-methyl-3H-indol-2-one;hydrochloride
SMILESCN1C(=O)Cc2cc(N)ccc21.Cl
InChIInChI=1S/C9H10N2O.ClH/c1-11-8-3-2-7(10)4-6(8)5-9(11)12;/h2-4H,5,10H2,1H3;1H
InChIKeyIFBSMLVCFKDOCS-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.21
Rot. Bonds

About 5-amino-1-methyl-3H-indol-2-one;hydrochloride

5-amino-1-methyl-3H-indol-2-one;hydrochloride (PubChem CID 86812306) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 5-amino-1-methyl-3H-indol-2-one;hydrochloride.

Molecular Properties

Compound Name5-amino-1-methyl-3H-indol-2-one;hydrochloride
PubChem CID86812306
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name5-amino-1-methyl-3H-indol-2-one;hydrochloride
SMILESCN1C(=O)Cc2cc(N)ccc21.Cl
InChIInChI=1S/C9H10N2O.ClH/c1-11-8-3-2-7(10)4-6(8)5-9(11)12;/h2-4H,5,10H2,1H3;1H
InChIKeyIFBSMLVCFKDOCS-UHFFFAOYSA-N
XLogP1.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-3H-indol-2-one;hydrochloride?
The IUPAC name of 5-amino-1-methyl-3H-indol-2-one;hydrochloride (CID 86812306) is 5-amino-1-methyl-3H-indol-2-one;hydrochloride.
What is the SMILES notation for 5-amino-1-methyl-3H-indol-2-one;hydrochloride?
The canonical SMILES for 5-amino-1-methyl-3H-indol-2-one;hydrochloride is CN1C(=O)Cc2cc(N)ccc21.Cl.
What is the InChIKey of 5-amino-1-methyl-3H-indol-2-one;hydrochloride?
The InChIKey is IFBSMLVCFKDOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O.ClH/c1-11-8-3-2-7(10)4-6(8)5-9(11)12;/h2-4H,5,10H2,1H3;1H.
What are the key properties of 5-amino-1-methyl-3H-indol-2-one;hydrochloride?
5-amino-1-methyl-3H-indol-2-one;hydrochloride has a molecular weight of 198.65 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-3H-indol-2-one;hydrochloride is sourced from PubChem (CID 86812306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).