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

C9H14NO+ — CID 5325147

IUPAC(2,6-dimethylpyran-4-ylidene)-dimethylazanium
SMILESCc1cc(=[N+](C)C)cc(C)o1
InChIInChI=1S/C9H14NO/c1-7-5-9(10(3)4)6-8(2)11-7/h5-6H,1-4H3/q+1
InChIKeyTUFAPUCHPQYURJ-UHFFFAOYSA-N
MW152.22 g/mol
LogP0.93
Rot. Bonds

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

(2,6-dimethylpyran-4-ylidene)-dimethylazanium (PubChem CID 5325147) has the molecular formula C9H14NO+ and a molecular weight of 152.22 g/mol. Its IUPAC name is (2,6-dimethylpyran-4-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(2,6-dimethylpyran-4-ylidene)-dimethylazanium
PubChem CID5325147
Molecular FormulaC9H14NO+
Molecular Weight152.22 g/mol
Exact Mass152.11
IUPAC Name(2,6-dimethylpyran-4-ylidene)-dimethylazanium
SMILESCc1cc(=[N+](C)C)cc(C)o1
InChIInChI=1S/C9H14NO/c1-7-5-9(10(3)4)6-8(2)11-7/h5-6H,1-4H3/q+1
InChIKeyTUFAPUCHPQYURJ-UHFFFAOYSA-N
XLogP0.93
TPSA16.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,6-Dimethylpyran-4-ylidene)-dimethylazanium iodide
CID 10826500
[4-(2,6-Dimethylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium
CID 21828656
(E)-4-methoxy-N-methylpent-3-en-2-imine
CID 53982430
4,6-dimethyl-2H-1,3-oxazine
CID 59189020
(Z)-4-methoxy-N-methylpent-3-en-2-imine
CID 59782201
4-methoxy-N-methylpent-3-en-2-imine
CID 76089775
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460
2-methoxy-N-methylcyclohexa-2,5-dien-1-imine
CID 143182598
(2E)-N,5-dimethyl-2-propylidenefuran-3-imine;ethane
CID 153554066
[(E)-pent-2-en-2-yl] N-methylethanimidate
CID 164574589
(2,6-Ditert-butylpyran-4-ylidene)-dimethylazanium
CID 10567910
(2,6-Ditert-butylpyran-4-ylidene)-diethylazanium
CID 13860404

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpyran-4-ylidene)-dimethylazanium?
The IUPAC name of (2,6-dimethylpyran-4-ylidene)-dimethylazanium (CID 5325147) is (2,6-dimethylpyran-4-ylidene)-dimethylazanium.
What is the SMILES notation for (2,6-dimethylpyran-4-ylidene)-dimethylazanium?
The canonical SMILES for (2,6-dimethylpyran-4-ylidene)-dimethylazanium is Cc1cc(=[N+](C)C)cc(C)o1.
What is the InChIKey of (2,6-dimethylpyran-4-ylidene)-dimethylazanium?
The InChIKey is TUFAPUCHPQYURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NO/c1-7-5-9(10(3)4)6-8(2)11-7/h5-6H,1-4H3/q+1.
What are the key properties of (2,6-dimethylpyran-4-ylidene)-dimethylazanium?
(2,6-dimethylpyran-4-ylidene)-dimethylazanium has a molecular weight of 152.22 g/mol, XLogP of 0.93, 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 is sourced from PubChem (CID 5325147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).