iodanium di(ethylidene)azanium

C4H10IN+2 — CID 172853258

IUPACiodanium di(ethylidene)azanium
SMILESCC=[N+]=CC.[IH2+]
InChIInChI=1S/C4H8N.H2I/c1-3-5-4-2;/h3-4H,1-2H3;1H2/q2*+1
InChIKeyNWCYIOZQWZUKIX-UHFFFAOYSA-N
MW199.03 g/mol
LogP-3.30
Rot. Bonds

About iodanium di(ethylidene)azanium

iodanium di(ethylidene)azanium (PubChem CID 172853258) has the molecular formula C4H10IN+2 and a molecular weight of 199.03 g/mol. Its IUPAC name is iodanium di(ethylidene)azanium.

Molecular Properties

Compound Nameiodanium di(ethylidene)azanium
PubChem CID172853258
Molecular FormulaC4H10IN+2
Molecular Weight199.03 g/mol
Exact Mass198.98
IUPAC Nameiodanium di(ethylidene)azanium
SMILESCC=[N+]=CC.[IH2+]
InChIInChI=1S/C4H8N.H2I/c1-3-5-4-2;/h3-4H,1-2H3;1H2/q2*+1
InChIKeyNWCYIOZQWZUKIX-UHFFFAOYSA-N
XLogP-3.30
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.03
LogP ≤ 5-3.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodanium di(ethylidene)azanium?
The IUPAC name of iodanium di(ethylidene)azanium (CID 172853258) is iodanium di(ethylidene)azanium.
What is the SMILES notation for iodanium di(ethylidene)azanium?
The canonical SMILES for iodanium di(ethylidene)azanium is CC=[N+]=CC.[IH2+].
What is the InChIKey of iodanium di(ethylidene)azanium?
The InChIKey is NWCYIOZQWZUKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N.H2I/c1-3-5-4-2;/h3-4H,1-2H3;1H2/q2*+1.
What are the key properties of iodanium di(ethylidene)azanium?
iodanium di(ethylidene)azanium has a molecular weight of 199.03 g/mol, XLogP of -3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodanium di(ethylidene)azanium is sourced from PubChem (CID 172853258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).