5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

C10H14N2O — CID 81105195

IUPAC5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C10H14N2O/c1-12-9-4-2-3-8(11)7(9)5-6-10(12)13/h5-6,8H,2-4,11H2,1H3
InChIKeyZYBBJQYYWSIZCD-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.72
Rot. Bonds

About 5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one

5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81105195) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81105195
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one
SMILESCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C10H14N2O/c1-12-9-4-2-3-8(11)7(9)5-6-10(12)13/h5-6,8H,2-4,11H2,1H3
InChIKeyZYBBJQYYWSIZCD-UHFFFAOYSA-N
XLogP0.72
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one (CID 81105195) is 5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is Cn1c2c(ccc1=O)C(N)CCC2.
What is the InChIKey of 5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is ZYBBJQYYWSIZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-9-4-2-3-8(11)7(9)5-6-10(12)13/h5-6,8H,2-4,11H2,1H3.
What are the key properties of 5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one?
5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 178.24 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81105195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).