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

C11H20N+ — CID 146680181

IUPAC3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCC1=CC=CC1
InChIInChI=1S/C11H20N/c1-12(2,3)10-6-9-11-7-4-5-8-11/h4-5,7H,6,8-10H2,1-3H3/q+1
InChIKeySEKCRFPLONJYJE-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.36
Rot. Bonds4

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

3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium (PubChem CID 146680181) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium
PubChem CID146680181
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium
SMILESC[N+](C)(C)CCCC1=CC=CC1
InChIInChI=1S/C11H20N/c1-12(2,3)10-6-9-11-7-4-5-8-11/h4-5,7H,6,8-10H2,1-3H3/q+1
InChIKeySEKCRFPLONJYJE-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.36
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 3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium?
The IUPAC name of 3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium (CID 146680181) is 3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium is C[N+](C)(C)CCCC1=CC=CC1.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium?
The InChIKey is SEKCRFPLONJYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N/c1-12(2,3)10-6-9-11-7-4-5-8-11/h4-5,7H,6,8-10H2,1-3H3/q+1.
What are the key properties of 3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium?
3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium has a molecular weight of 166.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-ylpropyl(trimethyl)azanium is sourced from PubChem (CID 146680181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).