[2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium

C13H17N2+ — CID 11044408

IUPAC[2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium
SMILESCN(C)c1c(-c2ccccc2)c1=[N+](C)C
InChIInChI=1S/C13H17N2/c1-14(2)12-11(13(12)15(3)4)10-8-6-5-7-9-10/h5-9H,1-4H3/q+1
InChIKeyXBVFHAIBFIPHEU-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.33
Rot. Bonds2

About [2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium

[2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium (PubChem CID 11044408) has the molecular formula C13H17N2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is [2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium
PubChem CID11044408
Molecular FormulaC13H17N2+
Molecular Weight201.29 g/mol
Exact Mass201.14
IUPAC Name[2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium
SMILESCN(C)c1c(-c2ccccc2)c1=[N+](C)C
InChIInChI=1S/C13H17N2/c1-14(2)12-11(13(12)15(3)4)10-8-6-5-7-9-10/h5-9H,1-4H3/q+1
InChIKeyXBVFHAIBFIPHEU-UHFFFAOYSA-N
XLogP1.33
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.33
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

N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline
CID 134309993
N,N,3-trimethyl-2-phenyl-6-phosphanylaniline
CID 54385192
4-(dimethylamino)-3-phenylchromen-2-one
CID 141378556
N,N-dimethyl-2,3-diphenylaniline
CID 18930760
azane;N,N-dimethyl-2-phenylaniline
CID 162317872
1,3,5-triphenyl-2,4,6-tri(propan-2-yl)benzene
CID 175984465
N,N,2,6-tetramethyl-3-phenylaniline
CID 173185436
6-chloro-3-(dimethylamino)-4-phenyl-1H-quinolin-2-one
CID 3446328
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
1,1'-biphenyl;N,N-dimethylmethanamine;oxophosphane
CID 174729420
N,2,4,6-tetramethyl-N-(4-phenylphenyl)aniline
CID 145100467
benzene;1,1'-biphenyl;ethane
CID 158550617

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium?
The IUPAC name of [2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium (CID 11044408) is [2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium.
What is the SMILES notation for [2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium?
The canonical SMILES for [2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium is CN(C)c1c(-c2ccccc2)c1=[N+](C)C.
What is the InChIKey of [2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium?
The InChIKey is XBVFHAIBFIPHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2/c1-14(2)12-11(13(12)15(3)4)10-8-6-5-7-9-10/h5-9H,1-4H3/q+1.
What are the key properties of [2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium?
[2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium has a molecular weight of 201.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-3-phenylcycloprop-2-en-1-ylidene]-dimethylazanium is sourced from PubChem (CID 11044408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).