[(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium

C12H15NO — CID 102209811

IUPAC[(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium
SMILESC/[O+]=[C-]/C=C(/c1ccccc1)N(C)C
InChIInChI=1S/C12H15NO/c1-13(2)12(9-10-14-3)11-7-5-4-6-8-11/h4-9H,1-3H3/b12-9-
InChIKeyXYBIXJVVMMCUMR-XFXZXTDPSA-N
MW189.26 g/mol
LogP1.86
Rot. Bonds3

About [(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium

[(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium (PubChem CID 102209811) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium
PubChem CID102209811
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name[(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium
SMILESC/[O+]=[C-]/C=C(/c1ccccc1)N(C)C
InChIInChI=1S/C12H15NO/c1-13(2)12(9-10-14-3)11-7-5-4-6-8-11/h4-9H,1-3H3/b12-9-
InChIKeyXYBIXJVVMMCUMR-XFXZXTDPSA-N
XLogP1.86
TPSA14.54 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-phenylbut-1-en-1-amine
CID 154209474
2-[(E)-3-(dimethylamino)-3-phenylprop-2-enylidene]propanedinitrile
CID 99722803
1-methyl-1-[(1E)-1-phenylbuta-1,3-dienyl]hydrazine
CID 89298001
(2Z,4Z)-5-(dimethylamino)-1,3,5-triphenylpenta-2,4-dien-1-one
CID 13495526
N-[2-(dimethylamino)-2-phenylethenoxy]aniline
CID 173353183
(2E,4E)-2-cyano-5-(dimethylamino)-5-phenylpenta-2,4-dienamide
CID 99722458
(Z)-2-phenylbut-1-en-1-amine
CID 142213019
CID 102282703
CID 102282703
[dimethylamino(phenyl)methylidene]-iodogold
CID 71319519
(E)-N,N-dimethyl-2-phenylbut-2-en-1-amine
CID 13167145
(Z)-1-(dimethylamino)-4,4,5,5-tetrafluoro-1-phenylpent-1-en-3-one
CID 12734388
N-methyl-N-[(Z)-1-phenylbut-1-enyl]aniline
CID 24975986

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium?
The IUPAC name of [(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium (CID 102209811) is [(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium.
What is the SMILES notation for [(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium?
The canonical SMILES for [(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium is C/[O+]=[C-]/C=C(/c1ccccc1)N(C)C.
What is the InChIKey of [(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium?
The InChIKey is XYBIXJVVMMCUMR-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H15NO/c1-13(2)12(9-10-14-3)11-7-5-4-6-8-11/h4-9H,1-3H3/b12-9-.
What are the key properties of [(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium?
[(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium has a molecular weight of 189.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-3-phenylprop-2-enylidene]-methyloxidanium is sourced from PubChem (CID 102209811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).