4-nitroso-1,2,3,6-tetrahydropyridine

C5H8N2O — CID 135254089

IUPAC4-nitroso-1,2,3,6-tetrahydropyridine
SMILESO=NC1=CCNCC1
InChIInChI=1S/C5H8N2O/c8-7-5-1-3-6-4-2-5/h1,6H,2-4H2
InChIKeyNADMGQHHIQORTH-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.63
Rot. Bonds1

About 4-nitroso-1,2,3,6-tetrahydropyridine

4-nitroso-1,2,3,6-tetrahydropyridine (PubChem CID 135254089) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 4-nitroso-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-nitroso-1,2,3,6-tetrahydropyridine
PubChem CID135254089
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name4-nitroso-1,2,3,6-tetrahydropyridine
SMILESO=NC1=CCNCC1
InChIInChI=1S/C5H8N2O/c8-7-5-1-3-6-4-2-5/h1,6H,2-4H2
InChIKeyNADMGQHHIQORTH-UHFFFAOYSA-N
XLogP0.63
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-nitroso-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-nitroso-1,2,3,6-tetrahydropyridine (CID 135254089) is 4-nitroso-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-nitroso-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-nitroso-1,2,3,6-tetrahydropyridine is O=NC1=CCNCC1.
What is the InChIKey of 4-nitroso-1,2,3,6-tetrahydropyridine?
The InChIKey is NADMGQHHIQORTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c8-7-5-1-3-6-4-2-5/h1,6H,2-4H2.
What are the key properties of 4-nitroso-1,2,3,6-tetrahydropyridine?
4-nitroso-1,2,3,6-tetrahydropyridine has a molecular weight of 112.13 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 135254089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).