2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium

C11H20NO+ — CID 143896460

IUPAC2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium
SMILESC=C(OC1CCCC1)C1CCC[NH2+]1
InChIInChI=1S/C11H19NO/c1-9(11-7-4-8-12-11)13-10-5-2-3-6-10/h10-12H,1-8H2/p+1
InChIKeySJPMOIJACGLLKK-UHFFFAOYSA-O
MW182.29 g/mol
LogP1.19
Rot. Bonds3

About 2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium

2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium (PubChem CID 143896460) has the molecular formula C11H20NO+ and a molecular weight of 182.29 g/mol. Its IUPAC name is 2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium.

Molecular Properties

Compound Name2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium
PubChem CID143896460
Molecular FormulaC11H20NO+
Molecular Weight182.29 g/mol
Exact Mass182.15
IUPAC Name2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium
SMILESC=C(OC1CCCC1)C1CCC[NH2+]1
InChIInChI=1S/C11H19NO/c1-9(11-7-4-8-12-11)13-10-5-2-3-6-10/h10-12H,1-8H2/p+1
InChIKeySJPMOIJACGLLKK-UHFFFAOYSA-O
XLogP1.19
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-(Pent-4-enoxymethyl)pyrrolidine
CID 64313140
(2S)-2-(1-cyclopentyloxyethenyl)-1-propan-2-ylpyrrolidine
CID 89143488
2-(1-Methoxyethenyl)pyrrolidine
CID 91128615
N-(oxolan-2-ylmethyl)pent-4-en-2-amine
CID 116039434
N-(oxolan-2-ylmethyl)but-3-en-2-amine
CID 116145850
4-Hex-5-enoxy-2-methylpyrrolidine
CID 123373294
(2S)-2-(1-ethoxyethenyl)pyrrolidine
CID 126635209
(2S)-N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 130367671
(2R)-N-[[(2R)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 130367714
(2S)-2-(1-cyclopentyloxyethenyl)-1-methylpyrrolidine
CID 143574418
2-(1-Cyclopentyloxyethenyl)-1-methylpyrrolidine
CID 143574565
(2S)-2-(1-cyclopentyloxypropa-1,2-dienyl)-1-methylpyrrolidine
CID 143578376

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium?
The IUPAC name of 2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium (CID 143896460) is 2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium.
What is the SMILES notation for 2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium?
The canonical SMILES for 2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium is C=C(OC1CCCC1)C1CCC[NH2+]1.
What is the InChIKey of 2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium?
The InChIKey is SJPMOIJACGLLKK-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H19NO/c1-9(11-7-4-8-12-11)13-10-5-2-3-6-10/h10-12H,1-8H2/p+1.
What are the key properties of 2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium?
2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium has a molecular weight of 182.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyloxyethenyl)pyrrolidin-1-ium is sourced from PubChem (CID 143896460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).