(5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium

C7H6IN2O2+ — CID 10967760

IUPAC(5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium
SMILESCO/C(O)=C1/C=CC(I)=C1[N+]#N
InChIInChI=1S/C7H5IN2O2/c1-12-7(11)4-2-3-5(8)6(4)10-9/h2-3H,1H3/p+1/b7-4-
InChIKeyLZYDXHJJEOXVNG-DAXSKMNVSA-O
MW277.04 g/mol
LogP2.47
Rot. Bonds1

About (5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium

(5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium (PubChem CID 10967760) has the molecular formula C7H6IN2O2+ and a molecular weight of 277.04 g/mol. Its IUPAC name is (5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium.

Molecular Properties

Compound Name(5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium
PubChem CID10967760
Molecular FormulaC7H6IN2O2+
Molecular Weight277.04 g/mol
Exact Mass276.95
IUPAC Name(5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium
SMILESCO/C(O)=C1/C=CC(I)=C1[N+]#N
InChIInChI=1S/C7H5IN2O2/c1-12-7(11)4-2-3-5(8)6(4)10-9/h2-3H,1H3/p+1/b7-4-
InChIKeyLZYDXHJJEOXVNG-DAXSKMNVSA-O
XLogP2.47
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.04
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium?
The IUPAC name of (5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium (CID 10967760) is (5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium.
What is the SMILES notation for (5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium?
The canonical SMILES for (5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium is CO/C(O)=C1/C=CC(I)=C1[N+]#N.
What is the InChIKey of (5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium?
The InChIKey is LZYDXHJJEOXVNG-DAXSKMNVSA-O. The full InChI is InChI=1S/C7H5IN2O2/c1-12-7(11)4-2-3-5(8)6(4)10-9/h2-3H,1H3/p+1/b7-4-.
What are the key properties of (5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium?
(5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium has a molecular weight of 277.04 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[hydroxy(methoxy)methylidene]-2-iodocyclopenta-1,3-diene-1-diazonium is sourced from PubChem (CID 10967760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).