(1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane

C5H9IN2 — CID 143887791

IUPAC(1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane
SMILESIN1C[C@H]2CNC[C@H]21
InChIInChI=1S/C5H9IN2/c6-8-3-4-1-7-2-5(4)8/h4-5,7H,1-3H2/t4-,5-/m1/s1
InChIKeyFRFOEQATSYIKDL-RFZPGFLSSA-N
MW224.04 g/mol
LogP0.24
Rot. Bonds

About (1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane

(1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane (PubChem CID 143887791) has the molecular formula C5H9IN2 and a molecular weight of 224.04 g/mol. Its IUPAC name is (1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane
PubChem CID143887791
Molecular FormulaC5H9IN2
Molecular Weight224.04 g/mol
Exact Mass223.98
IUPAC Name(1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane
SMILESIN1C[C@H]2CNC[C@H]21
InChIInChI=1S/C5H9IN2/c6-8-3-4-1-7-2-5(4)8/h4-5,7H,1-3H2/t4-,5-/m1/s1
InChIKeyFRFOEQATSYIKDL-RFZPGFLSSA-N
XLogP0.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane?
The IUPAC name of (1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane (CID 143887791) is (1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane.
What is the SMILES notation for (1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane?
The canonical SMILES for (1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane is IN1C[C@H]2CNC[C@H]21.
What is the InChIKey of (1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane?
The InChIKey is FRFOEQATSYIKDL-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H9IN2/c6-8-3-4-1-7-2-5(4)8/h4-5,7H,1-3H2/t4-,5-/m1/s1.
What are the key properties of (1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane?
(1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane has a molecular weight of 224.04 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-iodo-3,6-diazabicyclo[3.2.0]heptane is sourced from PubChem (CID 143887791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).