cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium

C9H14N+ — CID 174544061

IUPACcyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium
SMILESC[N+](C)(C)C=C1C=CC=C1
InChIInChI=1S/C9H14N/c1-10(2,3)8-9-6-4-5-7-9/h4-8H,1-3H3/q+1
InChIKeyFKISBYWARJAPBX-UHFFFAOYSA-N
MW136.22 g/mol
LogP1.70
Rot. Bonds1

About cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium

cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium (PubChem CID 174544061) has the molecular formula C9H14N+ and a molecular weight of 136.22 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium
PubChem CID174544061
Molecular FormulaC9H14N+
Molecular Weight136.22 g/mol
Exact Mass136.11
IUPAC Namecyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium
SMILESC[N+](C)(C)C=C1C=CC=C1
InChIInChI=1S/C9H14N/c1-10(2,3)8-9-6-4-5-7-9/h4-8H,1-3H3/q+1
InChIKeyFKISBYWARJAPBX-UHFFFAOYSA-N
XLogP1.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium?
The IUPAC name of cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium (CID 174544061) is cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium is C[N+](C)(C)C=C1C=CC=C1.
What is the InChIKey of cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium?
The InChIKey is FKISBYWARJAPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N/c1-10(2,3)8-9-6-4-5-7-9/h4-8H,1-3H3/q+1.
What are the key properties of cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium?
cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium has a molecular weight of 136.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidenemethyl(trimethyl)azanium is sourced from PubChem (CID 174544061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).