2-amino-1,2-dihydroindol-3-one;hydrochloride

C8H9ClN2O — CID 146048624

IUPAC2-amino-1,2-dihydroindol-3-one;hydrochloride
SMILESCl.NC1Nc2ccccc2C1=O
InChIInChI=1S/C8H8N2O.ClH/c9-8-7(11)5-3-1-2-4-6(5)10-8;/h1-4,8,10H,9H2;1H
InChIKeyWVSTUJJRLNWEHN-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.00
Rot. Bonds

About 2-amino-1,2-dihydroindol-3-one;hydrochloride

2-amino-1,2-dihydroindol-3-one;hydrochloride (PubChem CID 146048624) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-amino-1,2-dihydroindol-3-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1,2-dihydroindol-3-one;hydrochloride
PubChem CID146048624
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-amino-1,2-dihydroindol-3-one;hydrochloride
SMILESCl.NC1Nc2ccccc2C1=O
InChIInChI=1S/C8H8N2O.ClH/c9-8-7(11)5-3-1-2-4-6(5)10-8;/h1-4,8,10H,9H2;1H
InChIKeyWVSTUJJRLNWEHN-UHFFFAOYSA-N
XLogP1.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,2-dihydroindol-3-one;hydrochloride?
The IUPAC name of 2-amino-1,2-dihydroindol-3-one;hydrochloride (CID 146048624) is 2-amino-1,2-dihydroindol-3-one;hydrochloride.
What is the SMILES notation for 2-amino-1,2-dihydroindol-3-one;hydrochloride?
The canonical SMILES for 2-amino-1,2-dihydroindol-3-one;hydrochloride is Cl.NC1Nc2ccccc2C1=O.
What is the InChIKey of 2-amino-1,2-dihydroindol-3-one;hydrochloride?
The InChIKey is WVSTUJJRLNWEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O.ClH/c9-8-7(11)5-3-1-2-4-6(5)10-8;/h1-4,8,10H,9H2;1H.
What are the key properties of 2-amino-1,2-dihydroindol-3-one;hydrochloride?
2-amino-1,2-dihydroindol-3-one;hydrochloride has a molecular weight of 184.63 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,2-dihydroindol-3-one;hydrochloride is sourced from PubChem (CID 146048624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).