1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine

C12H23NO2 — CID 146213476

IUPAC1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine
SMILESC=CC(C)OCCOC(C)N1CCCC1
InChIInChI=1S/C12H23NO2/c1-4-11(2)14-9-10-15-12(3)13-7-5-6-8-13/h4,11-12H,1,5-10H2,2-3H3
InChIKeyWMQMUXJVUPPOMZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.04
Rot. Bonds7

About 1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine

1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine (PubChem CID 146213476) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine
PubChem CID146213476
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine
SMILESC=CC(C)OCCOC(C)N1CCCC1
InChIInChI=1S/C12H23NO2/c1-4-11(2)14-9-10-15-12(3)13-7-5-6-8-13/h4,11-12H,1,5-10H2,2-3H3
InChIKeyWMQMUXJVUPPOMZ-UHFFFAOYSA-N
XLogP2.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-[1-(1-piperidin-1-ylethoxy)ethyl]piperidine
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2-[1-(1-pyrrolidin-1-ylethoxy)ethoxy]ethanol
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1-[1-(1-ethoxyethoxy)ethyl]pyrrolidine
CID 68592080
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4-(1-butoxyethyl)morpholine
CID 23336947
1-(2,2-diethoxy-1-pyrrolidin-1-ylethyl)pyrrolidine
CID 54141378
1-[1-(1-propan-2-yloxyethoxy)ethyl]piperidine
CID 68590566
N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine
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1-hept-1-en-3-ylpyrrolidine
CID 68589014

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine (CID 146213476) is 1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine is C=CC(C)OCCOC(C)N1CCCC1.
What is the InChIKey of 1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine?
The InChIKey is WMQMUXJVUPPOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-11(2)14-9-10-15-12(3)13-7-5-6-8-13/h4,11-12H,1,5-10H2,2-3H3.
What are the key properties of 1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine?
1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine has a molecular weight of 213.32 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-but-3-en-2-yloxyethoxy)ethyl]pyrrolidine is sourced from PubChem (CID 146213476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).