dimethyl(1-phenylprop-2-enylidene)azanium

C11H14N+ — CID 153465550

IUPACdimethyl(1-phenylprop-2-enylidene)azanium
SMILESC=CC(c1ccccc1)=[N+](C)C
InChIInChI=1S/C11H14N/c1-4-11(12(2)3)10-8-6-5-7-9-10/h4-9H,1H2,2-3H3/q+1
InChIKeyANBBBVRHIFQEGG-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.93
Rot. Bonds2

About dimethyl(1-phenylprop-2-enylidene)azanium

dimethyl(1-phenylprop-2-enylidene)azanium (PubChem CID 153465550) has the molecular formula C11H14N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is dimethyl(1-phenylprop-2-enylidene)azanium.

Molecular Properties

Compound Namedimethyl(1-phenylprop-2-enylidene)azanium
PubChem CID153465550
Molecular FormulaC11H14N+
Molecular Weight160.24 g/mol
Exact Mass160.11
IUPAC Namedimethyl(1-phenylprop-2-enylidene)azanium
SMILESC=CC(c1ccccc1)=[N+](C)C
InChIInChI=1S/C11H14N/c1-4-11(12(2)3)10-8-6-5-7-9-10/h4-9H,1H2,2-3H3/q+1
InChIKeyANBBBVRHIFQEGG-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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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Related Compounds

2-phenylpenta-2,4-dien-3-ylbenzene
CID 175534652
1-phenylethanone;prop-2-enoic acid
CID 67861534
methanamine;1-phenylprop-2-en-1-one
CID 91395058
[bromo(phenyl)methylidene]-dimethylazanium
CID 576371
1,2-diphenylethane-1,2-dione;ethenyl(trimethyl)azanium;bromide
CID 174526746
acetaldehyde;buta-1,3-dien-2-ylbenzene
CID 23325207
ethane;[(3E)-4-methylhexa-1,3,5-trien-3-yl]benzene
CID 143435257
buta-1,3-diene;buta-1,3-dien-2-ylbenzene
CID 159301078
[(5E)-3,8-bis(ethenyl)-7-phenyldeca-1,3,5,7,9-pentaen-4-yl]benzene
CID 138972060
ethenamine;prop-1-en-2-ylbenzene
CID 172805831
(2E)-2-methyl-1-phenylpenta-2,4-dien-1-one
CID 134395022
N-[(E)-1-phenylprop-2-enylideneamino]methanamine
CID 144603752

Frequently Asked Questions

What is the IUPAC name of dimethyl(1-phenylprop-2-enylidene)azanium?
The IUPAC name of dimethyl(1-phenylprop-2-enylidene)azanium (CID 153465550) is dimethyl(1-phenylprop-2-enylidene)azanium.
What is the SMILES notation for dimethyl(1-phenylprop-2-enylidene)azanium?
The canonical SMILES for dimethyl(1-phenylprop-2-enylidene)azanium is C=CC(c1ccccc1)=[N+](C)C.
What is the InChIKey of dimethyl(1-phenylprop-2-enylidene)azanium?
The InChIKey is ANBBBVRHIFQEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N/c1-4-11(12(2)3)10-8-6-5-7-9-10/h4-9H,1H2,2-3H3/q+1.
What are the key properties of dimethyl(1-phenylprop-2-enylidene)azanium?
dimethyl(1-phenylprop-2-enylidene)azanium has a molecular weight of 160.24 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1-phenylprop-2-enylidene)azanium is sourced from PubChem (CID 153465550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).