1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride

C11H14ClNO — CID 68518451

IUPAC1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride
SMILESCC(=O)c1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C11H13NO.ClH/c1-8(13)9-2-3-11-7-12-5-4-10(11)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H
InChIKeyTUKVVUNVACVJHN-UHFFFAOYSA-N
MW211.69 g/mol
LogP1.96
Rot. Bonds1

About 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride

1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride (PubChem CID 68518451) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride
PubChem CID68518451
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride
SMILESCC(=O)c1ccc2c(c1)CCNC2.Cl
InChIInChI=1S/C11H13NO.ClH/c1-8(13)9-2-3-11-7-12-5-4-10(11)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H
InChIKeyTUKVVUNVACVJHN-UHFFFAOYSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride?
The IUPAC name of 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride (CID 68518451) is 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride is CC(=O)c1ccc2c(c1)CCNC2.Cl.
What is the InChIKey of 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride?
The InChIKey is TUKVVUNVACVJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.ClH/c1-8(13)9-2-3-11-7-12-5-4-10(11)6-9;/h2-3,6,12H,4-5,7H2,1H3;1H.
What are the key properties of 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride?
1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride has a molecular weight of 211.69 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone;hydrochloride is sourced from PubChem (CID 68518451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).