5-azaspiro[2.4]heptan-7-ylphosphane

C6H12NP — CID 176557088

IUPAC5-azaspiro[2.4]heptan-7-ylphosphane
SMILESPC1CNCC12CC2
InChIInChI=1S/C6H12NP/c8-5-3-7-4-6(5)1-2-6/h5,7H,1-4,8H2
InChIKeyPGMYPQHCJZLNJC-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.61
Rot. Bonds

About 5-azaspiro[2.4]heptan-7-ylphosphane

5-azaspiro[2.4]heptan-7-ylphosphane (PubChem CID 176557088) has the molecular formula C6H12NP and a molecular weight of 129.14 g/mol. Its IUPAC name is 5-azaspiro[2.4]heptan-7-ylphosphane.

Molecular Properties

Compound Name5-azaspiro[2.4]heptan-7-ylphosphane
PubChem CID176557088
Molecular FormulaC6H12NP
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name5-azaspiro[2.4]heptan-7-ylphosphane
SMILESPC1CNCC12CC2
InChIInChI=1S/C6H12NP/c8-5-3-7-4-6(5)1-2-6/h5,7H,1-4,8H2
InChIKeyPGMYPQHCJZLNJC-UHFFFAOYSA-N
XLogP0.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.4]heptan-7-ylphosphane?
The IUPAC name of 5-azaspiro[2.4]heptan-7-ylphosphane (CID 176557088) is 5-azaspiro[2.4]heptan-7-ylphosphane.
What is the SMILES notation for 5-azaspiro[2.4]heptan-7-ylphosphane?
The canonical SMILES for 5-azaspiro[2.4]heptan-7-ylphosphane is PC1CNCC12CC2.
What is the InChIKey of 5-azaspiro[2.4]heptan-7-ylphosphane?
The InChIKey is PGMYPQHCJZLNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NP/c8-5-3-7-4-6(5)1-2-6/h5,7H,1-4,8H2.
What are the key properties of 5-azaspiro[2.4]heptan-7-ylphosphane?
5-azaspiro[2.4]heptan-7-ylphosphane has a molecular weight of 129.14 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.4]heptan-7-ylphosphane is sourced from PubChem (CID 176557088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).