furan-2-ylmethyl(trimethyl)azanium iodide

C8H14INO — CID 10937

IUPACfuran-2-ylmethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)Cc1ccco1.[I-]
InChIInChI=1S/C8H14NO.HI/c1-9(2,3)7-8-5-4-6-10-8;/h4-6H,7H2,1-3H3;1H/q+1;/p-1
InChIKeyYKASHPSKFYVZRC-UHFFFAOYSA-M
MW267.11 g/mol
LogP-1.51
Rot. Bonds2

About furan-2-ylmethyl(trimethyl)azanium iodide

furan-2-ylmethyl(trimethyl)azanium iodide (PubChem CID 10937) has the molecular formula C8H14INO and a molecular weight of 267.11 g/mol. Its IUPAC name is furan-2-ylmethyl(trimethyl)azanium iodide.

Molecular Properties

Compound Namefuran-2-ylmethyl(trimethyl)azanium iodide
PubChem CID10937
Molecular FormulaC8H14INO
Molecular Weight267.11 g/mol
Exact Mass267.01
IUPAC Namefuran-2-ylmethyl(trimethyl)azanium iodide
SMILESC[N+](C)(C)Cc1ccco1.[I-]
InChIInChI=1S/C8H14NO.HI/c1-9(2,3)7-8-5-4-6-10-8;/h4-6H,7H2,1-3H3;1H/q+1;/p-1
InChIKeyYKASHPSKFYVZRC-UHFFFAOYSA-M
XLogP-1.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of furan-2-ylmethyl(trimethyl)azanium iodide?
The IUPAC name of furan-2-ylmethyl(trimethyl)azanium iodide (CID 10937) is furan-2-ylmethyl(trimethyl)azanium iodide.
What is the SMILES notation for furan-2-ylmethyl(trimethyl)azanium iodide?
The canonical SMILES for furan-2-ylmethyl(trimethyl)azanium iodide is C[N+](C)(C)Cc1ccco1.[I-].
What is the InChIKey of furan-2-ylmethyl(trimethyl)azanium iodide?
The InChIKey is YKASHPSKFYVZRC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14NO.HI/c1-9(2,3)7-8-5-4-6-10-8;/h4-6H,7H2,1-3H3;1H/q+1;/p-1.
What are the key properties of furan-2-ylmethyl(trimethyl)azanium iodide?
furan-2-ylmethyl(trimethyl)azanium iodide has a molecular weight of 267.11 g/mol, XLogP of -1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-ylmethyl(trimethyl)azanium iodide is sourced from PubChem (CID 10937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).