N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide

C12H16N2O — CID 142158226

IUPACN-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide
SMILESCC(=O)/N=c1/c2c(ccn1C)CCCC2
InChIInChI=1S/C12H16N2O/c1-9(15)13-12-11-6-4-3-5-10(11)7-8-14(12)2/h7-8H,3-6H2,1-2H3/b13-12-
InChIKeyVKNOUBWYVMGUOU-SEYXRHQNSA-N
MW204.27 g/mol
LogP1.35
Rot. Bonds

About N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide

N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide (PubChem CID 142158226) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide
PubChem CID142158226
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide
SMILESCC(=O)/N=c1/c2c(ccn1C)CCCC2
InChIInChI=1S/C12H16N2O/c1-9(15)13-12-11-6-4-3-5-10(11)7-8-14(12)2/h7-8H,3-6H2,1-2H3/b13-12-
InChIKeyVKNOUBWYVMGUOU-SEYXRHQNSA-N
XLogP1.35
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one
CID 58746149
N-(3-methyl-6,7,8,9-tetrahydro-1H-3-benzazepin-2-ylidene)acetamide
CID 142158220
3,4,8,9,10,11-Hexahydropyrimido[2,1-a]isoquinolin-2-one
CID 142158221
ethane;7,8,9,10-tetrahydro-3H-imidazo[2,1-a]isoquinolin-2-one
CID 143658730

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide?
The IUPAC name of N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide (CID 142158226) is N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide.
What is the SMILES notation for N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide?
The canonical SMILES for N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide is CC(=O)/N=c1/c2c(ccn1C)CCCC2.
What is the InChIKey of N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide?
The InChIKey is VKNOUBWYVMGUOU-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)13-12-11-6-4-3-5-10(11)7-8-14(12)2/h7-8H,3-6H2,1-2H3/b13-12-.
What are the key properties of N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide?
N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5,6,7,8-tetrahydroisoquinolin-1-ylidene)acetamide is sourced from PubChem (CID 142158226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).