dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium

C12H16BN — CID 10954226

IUPACdimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium
SMILESC=C1C[B-](=[N+](C)C)Cc2ccccc21
InChIInChI=1S/C12H16BN/c1-10-8-13(14(2)3)9-11-6-4-5-7-12(10)11/h4-7H,1,8-9H2,2-3H3
InChIKeyMTRIHXSLVGFRKL-UHFFFAOYSA-N
MW185.08 g/mol
LogP2.33
Rot. Bonds

About dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium

dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium (PubChem CID 10954226) has the molecular formula C12H16BN and a molecular weight of 185.08 g/mol. Its IUPAC name is dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium
PubChem CID10954226
Molecular FormulaC12H16BN
Molecular Weight185.08 g/mol
Exact Mass185.14
IUPAC Namedimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium
SMILESC=C1C[B-](=[N+](C)C)Cc2ccccc21
InChIInChI=1S/C12H16BN/c1-10-8-13(14(2)3)9-11-6-4-5-7-12(10)11/h4-7H,1,8-9H2,2-3H3
InChIKeyMTRIHXSLVGFRKL-UHFFFAOYSA-N
XLogP2.33
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.08
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium with MolForge

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Related Compounds

(7Z,9Z)-5-methylidene-11,12-dihydro-6H-benzo[10]annulene
CID 143121237
8-methyl-7,10-dimethylidene-5,6,8,9-tetrahydrobenzo[8]annulene
CID 91346586
ethene;9H-fluorene
CID 159544077
9,10-dihydrophenanthrene;ethane
CID 143759681
ethane;3-methylidene-1,2-dihydroisoindole
CID 178059907
ethane;2-methylidene-1,3-dihydroindene
CID 90790754
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
9H-fluorene;oxozirconium
CID 174355249
1-(5-methylidene-2,4-dihydro-1H-3-benzazepin-3-yl)ethanone
CID 147230282
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
1-amino-3,3-dimethyl-4H-naphthalene-2-carbonitrile
CID 2842471
9,10-dihydrophenanthrene;methane
CID 174728506

Frequently Asked Questions

What is the IUPAC name of dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium?
The IUPAC name of dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium (CID 10954226) is dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium.
What is the SMILES notation for dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium?
The canonical SMILES for dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium is C=C1C[B-](=[N+](C)C)Cc2ccccc21.
What is the InChIKey of dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium?
The InChIKey is MTRIHXSLVGFRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BN/c1-10-8-13(14(2)3)9-11-6-4-5-7-12(10)11/h4-7H,1,8-9H2,2-3H3.
What are the key properties of dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium?
dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium has a molecular weight of 185.08 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(5-methylidene-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-trien-3-ylidene)azanium is sourced from PubChem (CID 10954226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).