1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone

C11H12NO2+ — CID 59897662

IUPAC1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone
SMILESCC(=O)C1=CC=[N+](O)C2C=CC=CC12
InChIInChI=1S/C11H12NO2/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11/h2-7,10-11,14H,1H3/q+1
InChIKeyWEVAWFIZOTVGGG-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.10
Rot. Bonds1

About 1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone

1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone (PubChem CID 59897662) has the molecular formula C11H12NO2+ and a molecular weight of 190.22 g/mol. Its IUPAC name is 1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone
PubChem CID59897662
Molecular FormulaC11H12NO2+
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone
SMILESCC(=O)C1=CC=[N+](O)C2C=CC=CC12
InChIInChI=1S/C11H12NO2/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11/h2-7,10-11,14H,1H3/q+1
InChIKeyWEVAWFIZOTVGGG-UHFFFAOYSA-N
XLogP1.10
TPSA40.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone?
The IUPAC name of 1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone (CID 59897662) is 1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone?
The canonical SMILES for 1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone is CC(=O)C1=CC=[N+](O)C2C=CC=CC12.
What is the InChIKey of 1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone?
The InChIKey is WEVAWFIZOTVGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12NO2/c1-8(13)9-6-7-12(14)11-5-3-2-4-10(9)11/h2-7,10-11,14H,1H3/q+1.
What are the key properties of 1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone?
1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone has a molecular weight of 190.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4a,8a-dihydroquinolin-1-ium-4-yl)ethanone is sourced from PubChem (CID 59897662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).