[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium

C15H19N2O+ — CID 13485918

IUPAC[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium
SMILESCN(C)c1cc(-c2ccccc2)oc(=[N+](C)C)c1
InChIInChI=1S/C15H19N2O/c1-16(2)13-10-14(12-8-6-5-7-9-12)18-15(11-13)17(3)4/h5-11H,1-4H3/q+1
InChIKeyOOZQRAXPBWAZRW-UHFFFAOYSA-N
MW243.33 g/mol
LogP2.04
Rot. Bonds2

About [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium

[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium (PubChem CID 13485918) has the molecular formula C15H19N2O+ and a molecular weight of 243.33 g/mol. Its IUPAC name is [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium
PubChem CID13485918
Molecular FormulaC15H19N2O+
Molecular Weight243.33 g/mol
Exact Mass243.15
IUPAC Name[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium
SMILESCN(C)c1cc(-c2ccccc2)oc(=[N+](C)C)c1
InChIInChI=1S/C15H19N2O/c1-16(2)13-10-14(12-8-6-5-7-9-12)18-15(11-13)17(3)4/h5-11H,1-4H3/q+1
InChIKeyOOZQRAXPBWAZRW-UHFFFAOYSA-N
XLogP2.04
TPSA19.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6H-Cycloheptoxazole, 6-dimethylamino-2-phenyl-
CID 27566
4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium perchlorate
CID 12278065
6-(4-Dimethylami-nostyryl)-2,4-diphenylpyrylium perchlorate
CID 13710030
Dimethyl-(4-methyl-2-phenylchromen-7-ylidene)azanium
CID 88010727
Diethyl-(4-hydroxy-2-phenylchromen-7-ylidene)azanium
CID 91276437
4-(4-(Dimethylamino)phenyl)-2,6-diphenylpyrylium
CID 113003
[2-(4-Fluorophenyl)-4-methylchromen-7-ylidene]-dimethylazanium
CID 150327512
lithium propan-2-yl N-phenylbenzenecarboximidate
CID 10705517
[4-(Dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium perchlorate
CID 13485917
1-(2-Phenyl-6-pyrrolidin-1-ium-1-ylidenepyran-4-yl)pyrrolidine chloride
CID 13485919
1-(2-Phenyl-6-pyrrolidin-1-ium-1-ylidenepyran-4-yl)pyrrolidine perchlorate
CID 13485923
2,6-Diphenyl-4-(4-dimethylaminostyryl)pyrylium chloride
CID 15686504

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium?
The IUPAC name of [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium (CID 13485918) is [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium.
What is the SMILES notation for [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium?
The canonical SMILES for [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium is CN(C)c1cc(-c2ccccc2)oc(=[N+](C)C)c1.
What is the InChIKey of [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium?
The InChIKey is OOZQRAXPBWAZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N2O/c1-16(2)13-10-14(12-8-6-5-7-9-12)18-15(11-13)17(3)4/h5-11H,1-4H3/q+1.
What are the key properties of [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium?
[4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium has a molecular weight of 243.33 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)-6-phenylpyran-2-ylidene]-dimethylazanium is sourced from PubChem (CID 13485918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).