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

C11H14N2O — CID 10775659

IUPACN-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C11H14N2O/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)
InChIKeyZCZZZWPLWLILAC-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.29
Rot. Bonds1

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

N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide (PubChem CID 10775659) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
PubChem CID10775659
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CNCC2
InChIInChI=1S/C11H14N2O/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)
InChIKeyZCZZZWPLWLILAC-UHFFFAOYSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide (CID 10775659) is N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide is CC(=O)Nc1ccc2c(c1)CNCC2.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
The InChIKey is ZCZZZWPLWLILAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/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).
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide?
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide has a molecular weight of 190.25 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide is sourced from PubChem (CID 10775659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).