dimethyl-[(E)-3-phenylprop-2-enylidene]azanium

C11H14N+ — CID 6393850

IUPACdimethyl-[(E)-3-phenylprop-2-enylidene]azanium
SMILESC[N+](C)=C/C=C/c1ccccc1
InChIInChI=1S/C11H14N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-10H,1-2H3/q+1/b9-6+
InChIKeyIZLIHLDRAWALRQ-RMKNXTFCSA-N
MW160.24 g/mol
LogP2.04
Rot. Bonds2

About dimethyl-[(E)-3-phenylprop-2-enylidene]azanium

dimethyl-[(E)-3-phenylprop-2-enylidene]azanium (PubChem CID 6393850) has the molecular formula C11H14N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is dimethyl-[(E)-3-phenylprop-2-enylidene]azanium.

Molecular Properties

Compound Namedimethyl-[(E)-3-phenylprop-2-enylidene]azanium
PubChem CID6393850
Molecular FormulaC11H14N+
Molecular Weight160.24 g/mol
Exact Mass160.11
IUPAC Namedimethyl-[(E)-3-phenylprop-2-enylidene]azanium
SMILESC[N+](C)=C/C=C/c1ccccc1
InChIInChI=1S/C11H14N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-10H,1-2H3/q+1/b9-6+
InChIKeyIZLIHLDRAWALRQ-RMKNXTFCSA-N
XLogP2.04
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-[(E)-3-phenylprop-2-enylidene]azanium?
The IUPAC name of dimethyl-[(E)-3-phenylprop-2-enylidene]azanium (CID 6393850) is dimethyl-[(E)-3-phenylprop-2-enylidene]azanium.
What is the SMILES notation for dimethyl-[(E)-3-phenylprop-2-enylidene]azanium?
The canonical SMILES for dimethyl-[(E)-3-phenylprop-2-enylidene]azanium is C[N+](C)=C/C=C/c1ccccc1.
What is the InChIKey of dimethyl-[(E)-3-phenylprop-2-enylidene]azanium?
The InChIKey is IZLIHLDRAWALRQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H14N/c1-12(2)10-6-9-11-7-4-3-5-8-11/h3-10H,1-2H3/q+1/b9-6+.
What are the key properties of dimethyl-[(E)-3-phenylprop-2-enylidene]azanium?
dimethyl-[(E)-3-phenylprop-2-enylidene]azanium has a molecular weight of 160.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(E)-3-phenylprop-2-enylidene]azanium is sourced from PubChem (CID 6393850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).