(1E)-1-iodocyclononene

C9H15I — CID 169083106

IUPAC(1E)-1-iodocyclononene
SMILESI/C1=C/CCCCCCC1
InChIInChI=1S/C9H15I/c10-9-7-5-3-1-2-4-6-8-9/h7H,1-6,8H2/b9-7+
InChIKeyMAEGWEBNPUDTLK-VQHVLOKHSA-N
MW250.12 g/mol
LogP4.05
Rot. Bonds

About (1E)-1-iodocyclononene

(1E)-1-iodocyclononene (PubChem CID 169083106) has the molecular formula C9H15I and a molecular weight of 250.12 g/mol. Its IUPAC name is (1E)-1-iodocyclononene.

Molecular Properties

Compound Name(1E)-1-iodocyclononene
PubChem CID169083106
Molecular FormulaC9H15I
Molecular Weight250.12 g/mol
Exact Mass250.02
IUPAC Name(1E)-1-iodocyclononene
SMILESI/C1=C/CCCCCCC1
InChIInChI=1S/C9H15I/c10-9-7-5-3-1-2-4-6-8-9/h7H,1-6,8H2/b9-7+
InChIKeyMAEGWEBNPUDTLK-VQHVLOKHSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-iodocyclononene?
The IUPAC name of (1E)-1-iodocyclononene (CID 169083106) is (1E)-1-iodocyclononene.
What is the SMILES notation for (1E)-1-iodocyclononene?
The canonical SMILES for (1E)-1-iodocyclononene is I/C1=C/CCCCCCC1.
What is the InChIKey of (1E)-1-iodocyclononene?
The InChIKey is MAEGWEBNPUDTLK-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H15I/c10-9-7-5-3-1-2-4-6-8-9/h7H,1-6,8H2/b9-7+.
What are the key properties of (1E)-1-iodocyclononene?
(1E)-1-iodocyclononene has a molecular weight of 250.12 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-iodocyclononene is sourced from PubChem (CID 169083106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).