1,2-dihydroisoquinoline;hydrochloride

C9H10ClN — CID 19021098

IUPAC1,2-dihydroisoquinoline;hydrochloride
SMILESC1=Cc2ccccc2CN1.Cl
InChIInChI=1S/C9H9N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-6,10H,7H2;1H
InChIKeyYZHKLNCWNQOYHN-UHFFFAOYSA-N
MW167.64 g/mol
LogP2.18
Rot. Bonds

About 1,2-dihydroisoquinoline;hydrochloride

1,2-dihydroisoquinoline;hydrochloride (PubChem CID 19021098) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 1,2-dihydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name1,2-dihydroisoquinoline;hydrochloride
PubChem CID19021098
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name1,2-dihydroisoquinoline;hydrochloride
SMILESC1=Cc2ccccc2CN1.Cl
InChIInChI=1S/C9H9N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-6,10H,7H2;1H
InChIKeyYZHKLNCWNQOYHN-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroisoquinoline;hydrochloride?
The IUPAC name of 1,2-dihydroisoquinoline;hydrochloride (CID 19021098) is 1,2-dihydroisoquinoline;hydrochloride.
What is the SMILES notation for 1,2-dihydroisoquinoline;hydrochloride?
The canonical SMILES for 1,2-dihydroisoquinoline;hydrochloride is C1=Cc2ccccc2CN1.Cl.
What is the InChIKey of 1,2-dihydroisoquinoline;hydrochloride?
The InChIKey is YZHKLNCWNQOYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.ClH/c1-2-4-9-7-10-6-5-8(9)3-1;/h1-6,10H,7H2;1H.
What are the key properties of 1,2-dihydroisoquinoline;hydrochloride?
1,2-dihydroisoquinoline;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroisoquinoline;hydrochloride is sourced from PubChem (CID 19021098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).