4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine

C6H10NO2P — CID 123311174

IUPAC4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine
SMILESO=POCC1=CCNCC1
InChIInChI=1S/C6H10NO2P/c8-10-9-5-6-1-3-7-4-2-6/h1,7H,2-5H2
InChIKeyGKFGOMOTGDWRKU-UHFFFAOYSA-N
MW159.12 g/mol
LogP1.13
Rot. Bonds3

About 4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine

4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 123311174) has the molecular formula C6H10NO2P and a molecular weight of 159.12 g/mol. Its IUPAC name is 4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine
PubChem CID123311174
Molecular FormulaC6H10NO2P
Molecular Weight159.12 g/mol
Exact Mass159.04
IUPAC Name4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine
SMILESO=POCC1=CCNCC1
InChIInChI=1S/C6H10NO2P/c8-10-9-5-6-1-3-7-4-2-6/h1,7H,2-5H2
InChIKeyGKFGOMOTGDWRKU-UHFFFAOYSA-N
XLogP1.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine (CID 123311174) is 4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine is O=POCC1=CCNCC1.
What is the InChIKey of 4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is GKFGOMOTGDWRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO2P/c8-10-9-5-6-1-3-7-4-2-6/h1,7H,2-5H2.
What are the key properties of 4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine?
4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 159.12 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phosphorosooxymethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 123311174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).