1-(2-ethynoxyethyl)pyrrolidine

C8H13NO — CID 118412980

IUPAC1-(2-ethynoxyethyl)pyrrolidine
SMILESC#COCCN1CCCC1
InChIInChI=1S/C8H13NO/c1-2-10-8-7-9-5-3-4-6-9/h1H,3-8H2
InChIKeyNNSLDVCDDJXSHM-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.69
Rot. Bonds3

About 1-(2-ethynoxyethyl)pyrrolidine

1-(2-ethynoxyethyl)pyrrolidine (PubChem CID 118412980) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(2-ethynoxyethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-ethynoxyethyl)pyrrolidine
PubChem CID118412980
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-(2-ethynoxyethyl)pyrrolidine
SMILESC#COCCN1CCCC1
InChIInChI=1S/C8H13NO/c1-2-10-8-7-9-5-3-4-6-9/h1H,3-8H2
InChIKeyNNSLDVCDDJXSHM-UHFFFAOYSA-N
XLogP0.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
1-(2-methoxyethyl)azocane
CID 47014834
2-pyrrolidin-1-ylethyl hydrogen sulfite
CID 174831724
ethane;1-(2-methoxyethyl)pyrrolidine;1-(3-methoxypropyl)pyrrolidine
CID 143723108
1-(2-ethoxyethyl)piperidine
CID 22622871
1-[2-(fluoromethoxy)ethyl]piperidine
CID 144926312
2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
1-but-3-ynylazetidine
CID 130164474
3-pyrrolidin-1-ylpropyl sulfite
CID 174785148
1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 134364578
1-[2-[1-[2-(azepan-1-yl)ethoxy]ethoxy]ethyl]azepane
CID 57016594
1-pent-4-ynylpyrrolidine
CID 82363312

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethynoxyethyl)pyrrolidine?
The IUPAC name of 1-(2-ethynoxyethyl)pyrrolidine (CID 118412980) is 1-(2-ethynoxyethyl)pyrrolidine.
What is the SMILES notation for 1-(2-ethynoxyethyl)pyrrolidine?
The canonical SMILES for 1-(2-ethynoxyethyl)pyrrolidine is C#COCCN1CCCC1.
What is the InChIKey of 1-(2-ethynoxyethyl)pyrrolidine?
The InChIKey is NNSLDVCDDJXSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-10-8-7-9-5-3-4-6-9/h1H,3-8H2.
What are the key properties of 1-(2-ethynoxyethyl)pyrrolidine?
1-(2-ethynoxyethyl)pyrrolidine has a molecular weight of 139.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethynoxyethyl)pyrrolidine is sourced from PubChem (CID 118412980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).