2,3-dihydro-1H-inden-2-ylazanium chloride

C9H12ClN — CID 517392

IUPAC2,3-dihydro-1H-inden-2-ylazanium chloride
SMILES[Cl-].[NH3+]C1Cc2ccccc2C1
InChIInChI=1S/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H
InChIKeyXEHNLVMHWYPNEQ-UHFFFAOYSA-N
MW169.66 g/mol
LogP-2.60
Rot. Bonds

About 2,3-dihydro-1H-inden-2-ylazanium chloride

2,3-dihydro-1H-inden-2-ylazanium chloride (PubChem CID 517392) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-ylazanium chloride.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-ylazanium chloride
PubChem CID517392
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name2,3-dihydro-1H-inden-2-ylazanium chloride
SMILES[Cl-].[NH3+]C1Cc2ccccc2C1
InChIInChI=1S/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H
InChIKeyXEHNLVMHWYPNEQ-UHFFFAOYSA-N
XLogP-2.60
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 5-2.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-ylazanium chloride?
The IUPAC name of 2,3-dihydro-1H-inden-2-ylazanium chloride (CID 517392) is 2,3-dihydro-1H-inden-2-ylazanium chloride.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-ylazanium chloride?
The canonical SMILES for 2,3-dihydro-1H-inden-2-ylazanium chloride is [Cl-].[NH3+]C1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-ylazanium chloride?
The InChIKey is XEHNLVMHWYPNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.ClH/c10-9-5-7-3-1-2-4-8(7)6-9;/h1-4,9H,5-6,10H2;1H.
What are the key properties of 2,3-dihydro-1H-inden-2-ylazanium chloride?
2,3-dihydro-1H-inden-2-ylazanium chloride has a molecular weight of 169.66 g/mol, XLogP of -2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-ylazanium chloride is sourced from PubChem (CID 517392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).