cyclopent-3-en-1-ylmethyl(trimethyl)azanium

C9H18N+ — CID 10888442

IUPACcyclopent-3-en-1-ylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC1CC=CC1
InChIInChI=1S/C9H18N/c1-10(2,3)8-9-6-4-5-7-9/h4-5,9H,6-8H2,1-3H3/q+1
InChIKeyPDJAAJDABQMHDH-UHFFFAOYSA-N
MW140.25 g/mol
LogP1.66
Rot. Bonds2

About cyclopent-3-en-1-ylmethyl(trimethyl)azanium

cyclopent-3-en-1-ylmethyl(trimethyl)azanium (PubChem CID 10888442) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is cyclopent-3-en-1-ylmethyl(trimethyl)azanium.

Molecular Properties

Compound Namecyclopent-3-en-1-ylmethyl(trimethyl)azanium
PubChem CID10888442
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Namecyclopent-3-en-1-ylmethyl(trimethyl)azanium
SMILESC[N+](C)(C)CC1CC=CC1
InChIInChI=1S/C9H18N/c1-10(2,3)8-9-6-4-5-7-9/h4-5,9H,6-8H2,1-3H3/q+1
InChIKeyPDJAAJDABQMHDH-UHFFFAOYSA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-ylmethyl(trimethyl)azanium?
The IUPAC name of cyclopent-3-en-1-ylmethyl(trimethyl)azanium (CID 10888442) is cyclopent-3-en-1-ylmethyl(trimethyl)azanium.
What is the SMILES notation for cyclopent-3-en-1-ylmethyl(trimethyl)azanium?
The canonical SMILES for cyclopent-3-en-1-ylmethyl(trimethyl)azanium is C[N+](C)(C)CC1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-ylmethyl(trimethyl)azanium?
The InChIKey is PDJAAJDABQMHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-10(2,3)8-9-6-4-5-7-9/h4-5,9H,6-8H2,1-3H3/q+1.
What are the key properties of cyclopent-3-en-1-ylmethyl(trimethyl)azanium?
cyclopent-3-en-1-ylmethyl(trimethyl)azanium has a molecular weight of 140.25 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-ylmethyl(trimethyl)azanium is sourced from PubChem (CID 10888442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).