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

C9H10ClNO — CID 53324936

IUPAC1-amino-1,3-dihydroinden-2-one;hydrochloride
SMILESCl.NC1C(=O)Cc2ccccc21
InChIInChI=1S/C9H9NO.ClH/c10-9-7-4-2-1-3-6(7)5-8(9)11;/h1-4,9H,5,10H2;1H
InChIKeyKGHWRZKSKPLDKA-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.23
Rot. Bonds

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

1-amino-1,3-dihydroinden-2-one;hydrochloride (PubChem CID 53324936) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 1-amino-1,3-dihydroinden-2-one;hydrochloride.

Molecular Properties

Compound Name1-amino-1,3-dihydroinden-2-one;hydrochloride
PubChem CID53324936
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name1-amino-1,3-dihydroinden-2-one;hydrochloride
SMILESCl.NC1C(=O)Cc2ccccc21
InChIInChI=1S/C9H9NO.ClH/c10-9-7-4-2-1-3-6(7)5-8(9)11;/h1-4,9H,5,10H2;1H
InChIKeyKGHWRZKSKPLDKA-UHFFFAOYSA-N
XLogP1.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-1,3-dihydroinden-2-one;hydrochloride?
The IUPAC name of 1-amino-1,3-dihydroinden-2-one;hydrochloride (CID 53324936) is 1-amino-1,3-dihydroinden-2-one;hydrochloride.
What is the SMILES notation for 1-amino-1,3-dihydroinden-2-one;hydrochloride?
The canonical SMILES for 1-amino-1,3-dihydroinden-2-one;hydrochloride is Cl.NC1C(=O)Cc2ccccc21.
What is the InChIKey of 1-amino-1,3-dihydroinden-2-one;hydrochloride?
The InChIKey is KGHWRZKSKPLDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.ClH/c10-9-7-4-2-1-3-6(7)5-8(9)11;/h1-4,9H,5,10H2;1H.
What are the key properties of 1-amino-1,3-dihydroinden-2-one;hydrochloride?
1-amino-1,3-dihydroinden-2-one;hydrochloride has a molecular weight of 183.64 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1,3-dihydroinden-2-one;hydrochloride is sourced from PubChem (CID 53324936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).