5-nitroso-3,5,8,8a-tetrahydroquinoline

C9H10N2O — CID 57314763

IUPAC5-nitroso-3,5,8,8a-tetrahydroquinoline
SMILESO=NC1C=CCC2N=CCC=C12
InChIInChI=1S/C9H10N2O/c12-11-9-5-1-4-8-7(9)3-2-6-10-8/h1,3,5-6,8-9H,2,4H2
InChIKeyJHZMIXUOCOUAML-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.85
Rot. Bonds1

About 5-nitroso-3,5,8,8a-tetrahydroquinoline

5-nitroso-3,5,8,8a-tetrahydroquinoline (PubChem CID 57314763) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-nitroso-3,5,8,8a-tetrahydroquinoline.

Molecular Properties

Compound Name5-nitroso-3,5,8,8a-tetrahydroquinoline
PubChem CID57314763
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-nitroso-3,5,8,8a-tetrahydroquinoline
SMILESO=NC1C=CCC2N=CCC=C12
InChIInChI=1S/C9H10N2O/c12-11-9-5-1-4-8-7(9)3-2-6-10-8/h1,3,5-6,8-9H,2,4H2
InChIKeyJHZMIXUOCOUAML-UHFFFAOYSA-N
XLogP1.85
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5,6,8a-Tetrahydroquinoline
CID 90716025
5-Nitroso-3,5,8,8a-tetrahydroisoquinoline
CID 56989365
3,4,6,8a-Tetrahydro-1,7-naphthyridine
CID 90705893
3,5,8,8a-Tetrahydro-1,6-naphthyridine
CID 90723446
3,4,6,8a-Tetrahydroquinoline
CID 91059768

Frequently Asked Questions

What is the IUPAC name of 5-nitroso-3,5,8,8a-tetrahydroquinoline?
The IUPAC name of 5-nitroso-3,5,8,8a-tetrahydroquinoline (CID 57314763) is 5-nitroso-3,5,8,8a-tetrahydroquinoline.
What is the SMILES notation for 5-nitroso-3,5,8,8a-tetrahydroquinoline?
The canonical SMILES for 5-nitroso-3,5,8,8a-tetrahydroquinoline is O=NC1C=CCC2N=CCC=C12.
What is the InChIKey of 5-nitroso-3,5,8,8a-tetrahydroquinoline?
The InChIKey is JHZMIXUOCOUAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-11-9-5-1-4-8-7(9)3-2-6-10-8/h1,3,5-6,8-9H,2,4H2.
What are the key properties of 5-nitroso-3,5,8,8a-tetrahydroquinoline?
5-nitroso-3,5,8,8a-tetrahydroquinoline has a molecular weight of 162.19 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-3,5,8,8a-tetrahydroquinoline is sourced from PubChem (CID 57314763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).