5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride

C10H12ClNO — CID 138106165

IUPAC5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride
SMILESCc1c(N)ccc2c1CCC2=O.Cl
InChIInChI=1S/C10H11NO.ClH/c1-6-7-3-5-10(12)8(7)2-4-9(6)11;/h2,4H,3,5,11H2,1H3;1H
InChIKeyXVTWXLMPKYHJTM-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.13
Rot. Bonds

About 5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride

5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride (PubChem CID 138106165) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride.

Molecular Properties

Compound Name5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride
PubChem CID138106165
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride
SMILESCc1c(N)ccc2c1CCC2=O.Cl
InChIInChI=1S/C10H11NO.ClH/c1-6-7-3-5-10(12)8(7)2-4-9(6)11;/h2,4H,3,5,11H2,1H3;1H
InChIKeyXVTWXLMPKYHJTM-UHFFFAOYSA-N
XLogP2.13
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride?
The IUPAC name of 5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride (CID 138106165) is 5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride.
What is the SMILES notation for 5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride?
The canonical SMILES for 5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride is Cc1c(N)ccc2c1CCC2=O.Cl.
What is the InChIKey of 5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride?
The InChIKey is XVTWXLMPKYHJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.ClH/c1-6-7-3-5-10(12)8(7)2-4-9(6)11;/h2,4H,3,5,11H2,1H3;1H.
What are the key properties of 5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride?
5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride has a molecular weight of 197.67 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-2,3-dihydroinden-1-one;hydrochloride is sourced from PubChem (CID 138106165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).