8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane

C10H18IN — CID 166695983

IUPAC8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane
SMILESCC(I)N1CC2CCCCCC21
InChIInChI=1S/C10H18IN/c1-8(11)12-7-9-5-3-2-4-6-10(9)12/h8-10H,2-7H2,1H3
InChIKeySSPHNJMRESRLOE-UHFFFAOYSA-N
MW279.16 g/mol
LogP3.03
Rot. Bonds1

About 8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane

8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane (PubChem CID 166695983) has the molecular formula C10H18IN and a molecular weight of 279.16 g/mol. Its IUPAC name is 8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane.

Molecular Properties

Compound Name8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane
PubChem CID166695983
Molecular FormulaC10H18IN
Molecular Weight279.16 g/mol
Exact Mass279.05
IUPAC Name8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane
SMILESCC(I)N1CC2CCCCCC21
InChIInChI=1S/C10H18IN/c1-8(11)12-7-9-5-3-2-4-6-10(9)12/h8-10H,2-7H2,1H3
InChIKeySSPHNJMRESRLOE-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.16
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane?
The IUPAC name of 8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane (CID 166695983) is 8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane.
What is the SMILES notation for 8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane?
The canonical SMILES for 8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane is CC(I)N1CC2CCCCCC21.
What is the InChIKey of 8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane?
The InChIKey is SSPHNJMRESRLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18IN/c1-8(11)12-7-9-5-3-2-4-6-10(9)12/h8-10H,2-7H2,1H3.
What are the key properties of 8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane?
8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane has a molecular weight of 279.16 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane is sourced from PubChem (CID 166695983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).