(2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine

C8H15NO — CID 121285132

IUPAC(2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine
SMILESCCN1CCC/C1=C\OC
InChIInChI=1S/C8H15NO/c1-3-9-6-4-5-8(9)7-10-2/h7H,3-6H2,1-2H3/b8-7+
InChIKeyWZKJUNPOVHJGGO-BQYQJAHWSA-N
MW141.21 g/mol
LogP1.59
Rot. Bonds2

About (2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine

(2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine (PubChem CID 121285132) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine.

Molecular Properties

Compound Name(2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine
PubChem CID121285132
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine
SMILESCCN1CCC/C1=C\OC
InChIInChI=1S/C8H15NO/c1-3-9-6-4-5-8(9)7-10-2/h7H,3-6H2,1-2H3/b8-7+
InChIKeyWZKJUNPOVHJGGO-BQYQJAHWSA-N
XLogP1.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine?
The IUPAC name of (2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine (CID 121285132) is (2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine.
What is the SMILES notation for (2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine?
The canonical SMILES for (2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine is CCN1CCC/C1=C\OC.
What is the InChIKey of (2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine?
The InChIKey is WZKJUNPOVHJGGO-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-9-6-4-5-8(9)7-10-2/h7H,3-6H2,1-2H3/b8-7+.
What are the key properties of (2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine?
(2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine has a molecular weight of 141.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-ethyl-2-(methoxymethylidene)pyrrolidine is sourced from PubChem (CID 121285132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).