2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one

C11H11NO — CID 11105838

IUPAC2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one
SMILESO=C1CC2CCc3ccccc3N12
InChIInChI=1S/C11H11NO/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)11/h1-4,9H,5-7H2
InChIKeyLYSFMCCOWYPZHE-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.74
Rot. Bonds

About 2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one

2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one (PubChem CID 11105838) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one.

Molecular Properties

Compound Name2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one
PubChem CID11105838
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one
SMILESO=C1CC2CCc3ccccc3N12
InChIInChI=1S/C11H11NO/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)11/h1-4,9H,5-7H2
InChIKeyLYSFMCCOWYPZHE-UHFFFAOYSA-N
XLogP1.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one?
The IUPAC name of 2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one (CID 11105838) is 2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one.
What is the SMILES notation for 2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one?
The canonical SMILES for 2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one is O=C1CC2CCc3ccccc3N12.
What is the InChIKey of 2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one?
The InChIKey is LYSFMCCOWYPZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-11-7-9-6-5-8-3-1-2-4-10(8)12(9)11/h1-4,9H,5-7H2.
What are the key properties of 2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one?
2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one has a molecular weight of 173.22 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2a,3,4-tetrahydroazeto[1,2-a]quinolin-1-one is sourced from PubChem (CID 11105838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).