1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine

C11H19NO — CID 126489255

IUPAC1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine
SMILESC=C/C(=C\C)OCCN1CCCC1
InChIInChI=1S/C11H19NO/c1-3-11(4-2)13-10-9-12-7-5-6-8-12/h3-4H,1,5-10H2,2H3/b11-4+
InChIKeyZEDLMNJXIQZJEQ-NYYWCZLTSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds5

About 1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine

1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine (PubChem CID 126489255) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine
PubChem CID126489255
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine
SMILESC=C/C(=C\C)OCCN1CCCC1
InChIInChI=1S/C11H19NO/c1-3-11(4-2)13-10-9-12-7-5-6-8-12/h3-4H,1,5-10H2,2H3/b11-4+
InChIKeyZEDLMNJXIQZJEQ-NYYWCZLTSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-1-[2-[(3E)-5-methoxyhexa-1,3,5-trien-2-yl]oxyethyl]-3-methylpyrrolidine
CID 134570330
1-[2-[(4Z)-6-fluoro-2-methylhexa-2,4-dien-3-yl]oxyethyl]pyrrolidine
CID 142995078
4-(2-Pyrrolidin-1-yl-ethoxy)phenyl lithium
CID 129834146
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)pyrrolidine
CID 17915424
Magnesium;carbanide;1-[2-(phenoxy)ethyl]pyrrolidine
CID 21355747
(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)magnesium bromide, 0.25 M in THF
CID 57349196
Magnesium bromide 4-[2-(pyrrolidin-1-yl)ethoxy]benzen-1-ide (1/1/1)
CID 76518948
Cerium;1-[2-(phenoxy)ethyl]pyrrolidine
CID 87864485
1-[2-(4-Methylpenta-1,3-dien-2-yloxy)ethyl]pyrrolidine
CID 90054690
3-Methoxy-1-(2-penta-1,3-dien-2-yloxyethyl)pyrrolidine
CID 123442963
1-(2-But-2-en-2-yloxyethyl)pyrrolidine
CID 123950135
(3R)-3-[(2Z,4E)-hepta-2,4-dien-4-yl]oxy-1-methylpyrrolidine
CID 129060012

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine?
The IUPAC name of 1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine (CID 126489255) is 1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine is C=C/C(=C\C)OCCN1CCCC1.
What is the InChIKey of 1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine?
The InChIKey is ZEDLMNJXIQZJEQ-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-11(4-2)13-10-9-12-7-5-6-8-12/h3-4H,1,5-10H2,2H3/b11-4+.
What are the key properties of 1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine?
1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3E)-penta-1,3-dien-3-yl]oxyethyl]pyrrolidine is sourced from PubChem (CID 126489255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).