2-iodo-2-azaspiro[3.3]heptane

C6H10IN — CID 118612431

IUPAC2-iodo-2-azaspiro[3.3]heptane
SMILESIN1CC2(CCC2)C1
InChIInChI=1S/C6H10IN/c7-8-4-6(5-8)2-1-3-6/h1-5H2
InChIKeyJRFWJLXLQGPOTL-UHFFFAOYSA-N
MW223.06 g/mol
LogP1.82
Rot. Bonds

About 2-iodo-2-azaspiro[3.3]heptane

2-iodo-2-azaspiro[3.3]heptane (PubChem CID 118612431) has the molecular formula C6H10IN and a molecular weight of 223.06 g/mol. Its IUPAC name is 2-iodo-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-iodo-2-azaspiro[3.3]heptane
PubChem CID118612431
Molecular FormulaC6H10IN
Molecular Weight223.06 g/mol
Exact Mass222.99
IUPAC Name2-iodo-2-azaspiro[3.3]heptane
SMILESIN1CC2(CCC2)C1
InChIInChI=1S/C6H10IN/c7-8-4-6(5-8)2-1-3-6/h1-5H2
InChIKeyJRFWJLXLQGPOTL-UHFFFAOYSA-N
XLogP1.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-2-azaspiro[3.3]heptane?
The IUPAC name of 2-iodo-2-azaspiro[3.3]heptane (CID 118612431) is 2-iodo-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-iodo-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-iodo-2-azaspiro[3.3]heptane is IN1CC2(CCC2)C1.
What is the InChIKey of 2-iodo-2-azaspiro[3.3]heptane?
The InChIKey is JRFWJLXLQGPOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN/c7-8-4-6(5-8)2-1-3-6/h1-5H2.
What are the key properties of 2-iodo-2-azaspiro[3.3]heptane?
2-iodo-2-azaspiro[3.3]heptane has a molecular weight of 223.06 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-2-azaspiro[3.3]heptane is sourced from PubChem (CID 118612431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).