(1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride

C9H12ClN — CID 121269686

IUPAC(1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride
SMILESC[C@@H]1NCc2ccccc21.Cl
InChIInChI=1S/C9H11N.ClH/c1-7-9-5-3-2-4-8(9)6-10-7;/h2-5,7,10H,6H2,1H3;1H/t7-;/m0./s1
InChIKeyUFJGGSPSJKJHKR-FJXQXJEOSA-N
MW169.66 g/mol
LogP2.27
Rot. Bonds

About (1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride

(1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride (PubChem CID 121269686) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is (1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride.

Molecular Properties

Compound Name(1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride
PubChem CID121269686
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name(1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride
SMILESC[C@@H]1NCc2ccccc21.Cl
InChIInChI=1S/C9H11N.ClH/c1-7-9-5-3-2-4-8(9)6-10-7;/h2-5,7,10H,6H2,1H3;1H/t7-;/m0./s1
InChIKeyUFJGGSPSJKJHKR-FJXQXJEOSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride?
The IUPAC name of (1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride (CID 121269686) is (1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride.
What is the SMILES notation for (1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride?
The canonical SMILES for (1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride is C[C@@H]1NCc2ccccc21.Cl.
What is the InChIKey of (1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride?
The InChIKey is UFJGGSPSJKJHKR-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H11N.ClH/c1-7-9-5-3-2-4-8(9)6-10-7;/h2-5,7,10H,6H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride?
(1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride has a molecular weight of 169.66 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-methyl-2,3-dihydro-1H-isoindole;hydrochloride is sourced from PubChem (CID 121269686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).