dimethyl(prop-2-enylidene)azanium

C5H10N+ — CID 18720254

IUPACdimethyl(prop-2-enylidene)azanium
SMILESC=CC=[N+](C)C
InChIInChI=1S/C5H10N/c1-4-5-6(2)3/h4-5H,1H2,2-3H3/q+1
InChIKeyQEWPHRZBKNZJAG-UHFFFAOYSA-N
MW84.14 g/mol
LogP0.52
Rot. Bonds1

About dimethyl(prop-2-enylidene)azanium

dimethyl(prop-2-enylidene)azanium (PubChem CID 18720254) has the molecular formula C5H10N+ and a molecular weight of 84.14 g/mol. Its IUPAC name is dimethyl(prop-2-enylidene)azanium.

Molecular Properties

Compound Namedimethyl(prop-2-enylidene)azanium
PubChem CID18720254
Molecular FormulaC5H10N+
Molecular Weight84.14 g/mol
Exact Mass84.08
IUPAC Namedimethyl(prop-2-enylidene)azanium
SMILESC=CC=[N+](C)C
InChIInChI=1S/C5H10N/c1-4-5-6(2)3/h4-5H,1H2,2-3H3/q+1
InChIKeyQEWPHRZBKNZJAG-UHFFFAOYSA-N
XLogP0.52
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.14
LogP ≤ 50.52
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(prop-2-enylidene)azanium?
The IUPAC name of dimethyl(prop-2-enylidene)azanium (CID 18720254) is dimethyl(prop-2-enylidene)azanium.
What is the SMILES notation for dimethyl(prop-2-enylidene)azanium?
The canonical SMILES for dimethyl(prop-2-enylidene)azanium is C=CC=[N+](C)C.
What is the InChIKey of dimethyl(prop-2-enylidene)azanium?
The InChIKey is QEWPHRZBKNZJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N/c1-4-5-6(2)3/h4-5H,1H2,2-3H3/q+1.
What are the key properties of dimethyl(prop-2-enylidene)azanium?
dimethyl(prop-2-enylidene)azanium has a molecular weight of 84.14 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(prop-2-enylidene)azanium is sourced from PubChem (CID 18720254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).