3-(prop-2-enoxymethyl)pyrrolidine

C8H15NO — CID 53409468

IUPAC3-(prop-2-enoxymethyl)pyrrolidine
SMILESC=CCOCC1CCNC1
InChIInChI=1S/C8H15NO/c1-2-5-10-7-8-3-4-9-6-8/h2,8-9H,1,3-7H2
InChIKeyDXIFADKFVPGFNF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.80
Rot. Bonds4

About 3-(prop-2-enoxymethyl)pyrrolidine

3-(prop-2-enoxymethyl)pyrrolidine (PubChem CID 53409468) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-(prop-2-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(prop-2-enoxymethyl)pyrrolidine
PubChem CID53409468
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-(prop-2-enoxymethyl)pyrrolidine
SMILESC=CCOCC1CCNC1
InChIInChI=1S/C8H15NO/c1-2-5-10-7-8-3-4-9-6-8/h2,8-9H,1,3-7H2
InChIKeyDXIFADKFVPGFNF-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
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-(prop-2-enoxymethyl)pyrrolidine?
The IUPAC name of 3-(prop-2-enoxymethyl)pyrrolidine (CID 53409468) is 3-(prop-2-enoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(prop-2-enoxymethyl)pyrrolidine?
The canonical SMILES for 3-(prop-2-enoxymethyl)pyrrolidine is C=CCOCC1CCNC1.
What is the InChIKey of 3-(prop-2-enoxymethyl)pyrrolidine?
The InChIKey is DXIFADKFVPGFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-5-10-7-8-3-4-9-6-8/h2,8-9H,1,3-7H2.
What are the key properties of 3-(prop-2-enoxymethyl)pyrrolidine?
3-(prop-2-enoxymethyl)pyrrolidine has a molecular weight of 141.21 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enoxymethyl)pyrrolidine is sourced from PubChem (CID 53409468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).