3-[(E)-3-methoxyprop-1-enyl]pyrrolidine

C8H15NO — CID 118335850

IUPAC3-[(E)-3-methoxyprop-1-enyl]pyrrolidine
SMILESCOC/C=C/C1CCNC1
InChIInChI=1S/C8H15NO/c1-10-6-2-3-8-4-5-9-7-8/h2-3,8-9H,4-7H2,1H3/b3-2+
InChIKeyGQMHUZRJEDCHLJ-NSCUHMNNSA-N
MW141.21 g/mol
LogP0.80
Rot. Bonds3

About 3-[(E)-3-methoxyprop-1-enyl]pyrrolidine

3-[(E)-3-methoxyprop-1-enyl]pyrrolidine (PubChem CID 118335850) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-[(E)-3-methoxyprop-1-enyl]pyrrolidine.

Molecular Properties

Compound Name3-[(E)-3-methoxyprop-1-enyl]pyrrolidine
PubChem CID118335850
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-[(E)-3-methoxyprop-1-enyl]pyrrolidine
SMILESCOC/C=C/C1CCNC1
InChIInChI=1S/C8H15NO/c1-10-6-2-3-8-4-5-9-7-8/h2-3,8-9H,4-7H2,1H3/b3-2+
InChIKeyGQMHUZRJEDCHLJ-NSCUHMNNSA-N
XLogP0.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-methoxyprop-1-enyl]pyrrolidine?
The IUPAC name of 3-[(E)-3-methoxyprop-1-enyl]pyrrolidine (CID 118335850) is 3-[(E)-3-methoxyprop-1-enyl]pyrrolidine.
What is the SMILES notation for 3-[(E)-3-methoxyprop-1-enyl]pyrrolidine?
The canonical SMILES for 3-[(E)-3-methoxyprop-1-enyl]pyrrolidine is COC/C=C/C1CCNC1.
What is the InChIKey of 3-[(E)-3-methoxyprop-1-enyl]pyrrolidine?
The InChIKey is GQMHUZRJEDCHLJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H15NO/c1-10-6-2-3-8-4-5-9-7-8/h2-3,8-9H,4-7H2,1H3/b3-2+.
What are the key properties of 3-[(E)-3-methoxyprop-1-enyl]pyrrolidine?
3-[(E)-3-methoxyprop-1-enyl]pyrrolidine has a molecular weight of 141.21 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-methoxyprop-1-enyl]pyrrolidine is sourced from PubChem (CID 118335850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).