(2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide

C9H14INO — CID 10826500

IUPAC(2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide
SMILESCc1cc(=[N+](C)C)cc(C)o1.[I-]
InChIInChI=1S/C9H14NO.HI/c1-7-5-9(10(3)4)6-8(2)11-7;/h5-6H,1-4H3;1H/q+1;/p-1
InChIKeyAYWDJGWNGZTZBE-UHFFFAOYSA-M
MW279.12 g/mol
LogP-2.07
Rot. Bonds

About (2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide

(2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide (PubChem CID 10826500) has the molecular formula C9H14INO and a molecular weight of 279.12 g/mol. Its IUPAC name is (2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide.

Molecular Properties

Compound Name(2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide
PubChem CID10826500
Molecular FormulaC9H14INO
Molecular Weight279.12 g/mol
Exact Mass279.01
IUPAC Name(2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide
SMILESCc1cc(=[N+](C)C)cc(C)o1.[I-]
InChIInChI=1S/C9H14NO.HI/c1-7-5-9(10(3)4)6-8(2)11-7;/h5-6H,1-4H3;1H/q+1;/p-1
InChIKeyAYWDJGWNGZTZBE-UHFFFAOYSA-M
XLogP-2.07
TPSA16.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 5-2.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

InChI=1/C9H14NO/c1-7-5-9(10(3)4)6-8(2)11-7/h5-6H,1-4H3/q+
CID 5325147
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460
(2,6-Ditert-butylpyran-4-ylidene)-dimethylazanium
CID 10567910
2,6-dimethyl-N-propan-2-ylpyran-4-imine
CID 21823176
(2E)-N,5-dimethyl-2-propylidenefuran-3-imine
CID 153554067
3,6-diethyl-2,4-dimethyl-2H-1,3-oxazin-3-ium
CID 160429506

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide?
The IUPAC name of (2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide (CID 10826500) is (2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide.
What is the SMILES notation for (2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide?
The canonical SMILES for (2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide is Cc1cc(=[N+](C)C)cc(C)o1.[I-].
What is the InChIKey of (2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide?
The InChIKey is AYWDJGWNGZTZBE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14NO.HI/c1-7-5-9(10(3)4)6-8(2)11-7;/h5-6H,1-4H3;1H/q+1;/p-1.
What are the key properties of (2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide?
(2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide has a molecular weight of 279.12 g/mol, XLogP of -2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpyran-4-ylidene)-dimethylazanium iodide is sourced from PubChem (CID 10826500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).