3-(2-prop-2-enoxyethoxymethyl)pyrrolidine

C10H19NO2 — CID 56830011

IUPAC3-(2-prop-2-enoxyethoxymethyl)pyrrolidine
SMILESC=CCOCCOCC1CCNC1
InChIInChI=1S/C10H19NO2/c1-2-5-12-6-7-13-9-10-3-4-11-8-10/h2,10-11H,1,3-9H2
InChIKeyPUTQTBPLZOJNIB-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.82
Rot. Bonds7

About 3-(2-prop-2-enoxyethoxymethyl)pyrrolidine

3-(2-prop-2-enoxyethoxymethyl)pyrrolidine (PubChem CID 56830011) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(2-prop-2-enoxyethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-prop-2-enoxyethoxymethyl)pyrrolidine
PubChem CID56830011
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(2-prop-2-enoxyethoxymethyl)pyrrolidine
SMILESC=CCOCCOCC1CCNC1
InChIInChI=1S/C10H19NO2/c1-2-5-12-6-7-13-9-10-3-4-11-8-10/h2,10-11H,1,3-9H2
InChIKeyPUTQTBPLZOJNIB-UHFFFAOYSA-N
XLogP0.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.82
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-2-enoxyethoxymethyl)pyrrolidine?
The IUPAC name of 3-(2-prop-2-enoxyethoxymethyl)pyrrolidine (CID 56830011) is 3-(2-prop-2-enoxyethoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(2-prop-2-enoxyethoxymethyl)pyrrolidine?
The canonical SMILES for 3-(2-prop-2-enoxyethoxymethyl)pyrrolidine is C=CCOCCOCC1CCNC1.
What is the InChIKey of 3-(2-prop-2-enoxyethoxymethyl)pyrrolidine?
The InChIKey is PUTQTBPLZOJNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-5-12-6-7-13-9-10-3-4-11-8-10/h2,10-11H,1,3-9H2.
What are the key properties of 3-(2-prop-2-enoxyethoxymethyl)pyrrolidine?
3-(2-prop-2-enoxyethoxymethyl)pyrrolidine has a molecular weight of 185.27 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-2-enoxyethoxymethyl)pyrrolidine is sourced from PubChem (CID 56830011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).