5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one

C11H15NO — CID 118143620

IUPAC5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one
SMILESCC1(C)CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C11H15NO/c1-11(2)7-3-4-9-8(11)5-6-10(13)12-9/h5-6H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyQQDWAXNDJBLACH-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.99
Rot. Bonds

About 5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one

5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one (PubChem CID 118143620) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one
PubChem CID118143620
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one
SMILESCC1(C)CCCc2[nH]c(=O)ccc21
InChIInChI=1S/C11H15NO/c1-11(2)7-3-4-9-8(11)5-6-10(13)12-9/h5-6H,3-4,7H2,1-2H3,(H,12,13)
InChIKeyQQDWAXNDJBLACH-UHFFFAOYSA-N
XLogP1.99
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one (CID 118143620) is 5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one is CC1(C)CCCc2[nH]c(=O)ccc21.
What is the InChIKey of 5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is QQDWAXNDJBLACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-11(2)7-3-4-9-8(11)5-6-10(13)12-9/h5-6H,3-4,7H2,1-2H3,(H,12,13).
What are the key properties of 5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one?
5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 118143620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).