3-but-3-enoxypyrrolidine

C8H15NO — CID 18337175

IUPAC3-but-3-enoxypyrrolidine
SMILESC=CCCOC1CCNC1
InChIInChI=1S/C8H15NO/c1-2-3-6-10-8-4-5-9-7-8/h2,8-9H,1,3-7H2
InChIKeyQJAPRSRYNXQMEK-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds4

About 3-but-3-enoxypyrrolidine

3-but-3-enoxypyrrolidine (PubChem CID 18337175) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-but-3-enoxypyrrolidine.

Molecular Properties

Compound Name3-but-3-enoxypyrrolidine
PubChem CID18337175
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-but-3-enoxypyrrolidine
SMILESC=CCCOC1CCNC1
InChIInChI=1S/C8H15NO/c1-2-3-6-10-8-4-5-9-7-8/h2,8-9H,1,3-7H2
InChIKeyQJAPRSRYNXQMEK-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-but-3-enoxypyrrolidine?
The IUPAC name of 3-but-3-enoxypyrrolidine (CID 18337175) is 3-but-3-enoxypyrrolidine.
What is the SMILES notation for 3-but-3-enoxypyrrolidine?
The canonical SMILES for 3-but-3-enoxypyrrolidine is C=CCCOC1CCNC1.
What is the InChIKey of 3-but-3-enoxypyrrolidine?
The InChIKey is QJAPRSRYNXQMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-6-10-8-4-5-9-7-8/h2,8-9H,1,3-7H2.
What are the key properties of 3-but-3-enoxypyrrolidine?
3-but-3-enoxypyrrolidine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enoxypyrrolidine is sourced from PubChem (CID 18337175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).