(2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium

C11H20N+ — CID 163266347

IUPAC(2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium
SMILESC=CC1=C([N+](C)(C)CC)CCC1
InChIInChI=1S/C11H20N/c1-5-10-8-7-9-11(10)12(3,4)6-2/h5H,1,6-9H2,2-4H3/q+1
InChIKeyUOJGMGMWIGHINB-UHFFFAOYSA-N
MW166.29 g/mol
LogP2.71
Rot. Bonds3

About (2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium

(2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium (PubChem CID 163266347) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is (2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium.

Molecular Properties

Compound Name(2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium
PubChem CID163266347
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name(2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium
SMILESC=CC1=C([N+](C)(C)CC)CCC1
InChIInChI=1S/C11H20N/c1-5-10-8-7-9-11(10)12(3,4)6-2/h5H,1,6-9H2,2-4H3/q+1
InChIKeyUOJGMGMWIGHINB-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.71
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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Related Compounds

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ethane;N-(2-ethenylcyclohepten-1-yl)methanimine
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1-(2-ethenylcyclopenten-1-yl)ethenamine
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3-ethenyl-2-methylcyclopent-2-en-1-one;methane;propane
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3-ethenyl-2-pentylcyclopent-2-en-1-one
CID 14411905
6,7-bis(ethenyl)-2,3,4,5-tetrahydrothiepine;ethane
CID 145445836
4-ethenyl-3-ethyl-2,5-dihydro-1,2-thiazole
CID 138668061
5-ethenyl-6-(1-hexoxyethyl)-1-methyl-3,4-dihydro-2H-pyridine
CID 142182799
hexylidenecyclobutane
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5-ethenyl-6-ethyl-3,4-dihydropyridine
CID 142549035

Frequently Asked Questions

What is the IUPAC name of (2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium?
The IUPAC name of (2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium (CID 163266347) is (2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium.
What is the SMILES notation for (2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium?
The canonical SMILES for (2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium is C=CC1=C([N+](C)(C)CC)CCC1.
What is the InChIKey of (2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium?
The InChIKey is UOJGMGMWIGHINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N/c1-5-10-8-7-9-11(10)12(3,4)6-2/h5H,1,6-9H2,2-4H3/q+1.
What are the key properties of (2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium?
(2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium has a molecular weight of 166.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethenylcyclopenten-1-yl)-ethyl-dimethylazanium is sourced from PubChem (CID 163266347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).