3-(pent-4-enoxymethyl)pyrrolidine

C10H19NO — CID 53409459

IUPAC3-(pent-4-enoxymethyl)pyrrolidine
SMILESC=CCCCOCC1CCNC1
InChIInChI=1S/C10H19NO/c1-2-3-4-7-12-9-10-5-6-11-8-10/h2,10-11H,1,3-9H2
InChIKeyUUNYAKMMMLJIRF-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds6

About 3-(pent-4-enoxymethyl)pyrrolidine

3-(pent-4-enoxymethyl)pyrrolidine (PubChem CID 53409459) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(pent-4-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(pent-4-enoxymethyl)pyrrolidine
PubChem CID53409459
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(pent-4-enoxymethyl)pyrrolidine
SMILESC=CCCCOCC1CCNC1
InChIInChI=1S/C10H19NO/c1-2-3-4-7-12-9-10-5-6-11-8-10/h2,10-11H,1,3-9H2
InChIKeyUUNYAKMMMLJIRF-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
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-(pent-4-enoxymethyl)pyrrolidine?
The IUPAC name of 3-(pent-4-enoxymethyl)pyrrolidine (CID 53409459) is 3-(pent-4-enoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(pent-4-enoxymethyl)pyrrolidine?
The canonical SMILES for 3-(pent-4-enoxymethyl)pyrrolidine is C=CCCCOCC1CCNC1.
What is the InChIKey of 3-(pent-4-enoxymethyl)pyrrolidine?
The InChIKey is UUNYAKMMMLJIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-4-7-12-9-10-5-6-11-8-10/h2,10-11H,1,3-9H2.
What are the key properties of 3-(pent-4-enoxymethyl)pyrrolidine?
3-(pent-4-enoxymethyl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pent-4-enoxymethyl)pyrrolidine is sourced from PubChem (CID 53409459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).