N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride

C11H15ClN2O — CID 10775658

IUPACN-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride
SMILESCC(=O)Nc1ccc2c(c1)C[NH2+]CC2.[Cl-]
InChIInChI=1S/C11H14N2O.ClH/c1-8(14)13-11-3-2-9-4-5-12-7-10(9)6-11;/h2-3,6,12H,4-5,7H2,1H3,(H,13,14);1H
InChIKeyDPIQNBBDOQKKEV-UHFFFAOYSA-N
MW226.71 g/mol
LogP-2.73
Rot. Bonds1

About N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride

N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride (PubChem CID 10775658) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride
PubChem CID10775658
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride
SMILESCC(=O)Nc1ccc2c(c1)C[NH2+]CC2.[Cl-]
InChIInChI=1S/C11H14N2O.ClH/c1-8(14)13-11-3-2-9-4-5-12-7-10(9)6-11;/h2-3,6,12H,4-5,7H2,1H3,(H,13,14);1H
InChIKeyDPIQNBBDOQKKEV-UHFFFAOYSA-N
XLogP-2.73
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 5-2.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)benzamide
CID 117072294
4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7-yl)benzamide
CID 117071799
N-(1-acetamido-1-hydroxy-2,3-dihydroinden-5-yl)acetamide
CID 174789952
N-[7-(aminomethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]acetamide
CID 123877752
5-acetamido-2-oxo-3H-indole-1-carboxamide
CID 70381945
N-(2-propan-2-yl-1,3-dihydroisoindol-5-yl)acetamide
CID 110459252
(6-acetamido-3,4-dihydronaphthalen-2-yl) acetate
CID 70154325
N-(1-ethyl-2-oxo-3H-indol-5-yl)acetamide
CID 20933157
N-[(1R)-1-amino-2,3-dihydro-1H-inden-5-yl]acetamide
CID 55277889
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(1H-isoindol-5-yl)acetamide
CID 142070136

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride (CID 10775658) is N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride is CC(=O)Nc1ccc2c(c1)C[NH2+]CC2.[Cl-].
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride?
The InChIKey is DPIQNBBDOQKKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-8(14)13-11-3-2-9-4-5-12-7-10(9)6-11;/h2-3,6,12H,4-5,7H2,1H3,(H,13,14);1H.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride?
N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride has a molecular weight of 226.71 g/mol, XLogP of -2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)acetamide chloride is sourced from PubChem (CID 10775658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).