cyclopenta-1,3-dien-1-yl(trimethyl)azanium

C8H14N+ — CID 102304896

IUPACcyclopenta-1,3-dien-1-yl(trimethyl)azanium
SMILESC[N+](C)(C)C1=CC=CC1
InChIInChI=1S/C8H14N/c1-9(2,3)8-6-4-5-7-8/h4-6H,7H2,1-3H3/q+1
InChIKeyLQVNTDMEUWCJRX-UHFFFAOYSA-N
MW124.21 g/mol
LogP1.54
Rot. Bonds1

About cyclopenta-1,3-dien-1-yl(trimethyl)azanium

cyclopenta-1,3-dien-1-yl(trimethyl)azanium (PubChem CID 102304896) has the molecular formula C8H14N+ and a molecular weight of 124.21 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl(trimethyl)azanium.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl(trimethyl)azanium
PubChem CID102304896
Molecular FormulaC8H14N+
Molecular Weight124.21 g/mol
Exact Mass124.11
IUPAC Namecyclopenta-1,3-dien-1-yl(trimethyl)azanium
SMILESC[N+](C)(C)C1=CC=CC1
InChIInChI=1S/C8H14N/c1-9(2,3)8-6-4-5-7-8/h4-6H,7H2,1-3H3/q+1
InChIKeyLQVNTDMEUWCJRX-UHFFFAOYSA-N
XLogP1.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 51.54
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-1,3-dien-1-yl(trimethyl)azanium?
The IUPAC name of cyclopenta-1,3-dien-1-yl(trimethyl)azanium (CID 102304896) is cyclopenta-1,3-dien-1-yl(trimethyl)azanium.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl(trimethyl)azanium?
The canonical SMILES for cyclopenta-1,3-dien-1-yl(trimethyl)azanium is C[N+](C)(C)C1=CC=CC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl(trimethyl)azanium?
The InChIKey is LQVNTDMEUWCJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N/c1-9(2,3)8-6-4-5-7-8/h4-6H,7H2,1-3H3/q+1.
What are the key properties of cyclopenta-1,3-dien-1-yl(trimethyl)azanium?
cyclopenta-1,3-dien-1-yl(trimethyl)azanium has a molecular weight of 124.21 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl(trimethyl)azanium is sourced from PubChem (CID 102304896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).