1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine

C10H19NO — CID 164922688

IUPAC1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1CCCN1CCOC
InChIInChI=1S/C10H19NO/c1-3-5-10-6-4-7-11(10)8-9-12-2/h3,5,10H,4,6-9H2,1-2H3/b5-3+
InChIKeyJOLOUZLIDYGTFI-HWKANZROSA-N
MW169.27 g/mol
LogP1.67
Rot. Bonds4

About 1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine

1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine (PubChem CID 164922688) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine
PubChem CID164922688
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine
SMILESC/C=C/C1CCCN1CCOC
InChIInChI=1S/C10H19NO/c1-3-5-10-6-4-7-11(10)8-9-12-2/h3,5,10H,4,6-9H2,1-2H3/b5-3+
InChIKeyJOLOUZLIDYGTFI-HWKANZROSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine?
The IUPAC name of 1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine (CID 164922688) is 1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine?
The canonical SMILES for 1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine is C/C=C/C1CCCN1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine?
The InChIKey is JOLOUZLIDYGTFI-HWKANZROSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-10-6-4-7-11(10)8-9-12-2/h3,5,10H,4,6-9H2,1-2H3/b5-3+.
What are the key properties of 1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine?
1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine is sourced from PubChem (CID 164922688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).