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

C9H10ClNO — CID 12550279

IUPAC2-amino-2,3-dihydroinden-1-one;hydrochloride
SMILESCl.NC1Cc2ccccc2C1=O
InChIInChI=1S/C9H9NO.ClH/c10-8-5-6-3-1-2-4-7(6)9(8)11;/h1-4,8H,5,10H2;1H
InChIKeyAORFTSYQWUGEFL-UHFFFAOYSA-N
MW183.64 g/mol
LogP1.17
Rot. Bonds

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

2-amino-2,3-dihydroinden-1-one;hydrochloride (PubChem CID 12550279) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is 2-amino-2,3-dihydroinden-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-2,3-dihydroinden-1-one;hydrochloride
PubChem CID12550279
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name2-amino-2,3-dihydroinden-1-one;hydrochloride
SMILESCl.NC1Cc2ccccc2C1=O
InChIInChI=1S/C9H9NO.ClH/c10-8-5-6-3-1-2-4-7(6)9(8)11;/h1-4,8H,5,10H2;1H
InChIKeyAORFTSYQWUGEFL-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dihydroinden-1-one;hydrochloride?
The IUPAC name of 2-amino-2,3-dihydroinden-1-one;hydrochloride (CID 12550279) is 2-amino-2,3-dihydroinden-1-one;hydrochloride.
What is the SMILES notation for 2-amino-2,3-dihydroinden-1-one;hydrochloride?
The canonical SMILES for 2-amino-2,3-dihydroinden-1-one;hydrochloride is Cl.NC1Cc2ccccc2C1=O.
What is the InChIKey of 2-amino-2,3-dihydroinden-1-one;hydrochloride?
The InChIKey is AORFTSYQWUGEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO.ClH/c10-8-5-6-3-1-2-4-7(6)9(8)11;/h1-4,8H,5,10H2;1H.
What are the key properties of 2-amino-2,3-dihydroinden-1-one;hydrochloride?
2-amino-2,3-dihydroinden-1-one;hydrochloride has a molecular weight of 183.64 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dihydroinden-1-one;hydrochloride is sourced from PubChem (CID 12550279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).