2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine

C10H19NO — CID 59438973

IUPAC2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine
SMILESC=C(C)OC1CCC(CC)N1C
InChIInChI=1S/C10H19NO/c1-5-9-6-7-10(11(9)4)12-8(2)3/h9-10H,2,5-7H2,1,3-4H3
InChIKeyGTDIPYIDSSPZEQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.37
Rot. Bonds3

About 2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine

2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine (PubChem CID 59438973) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine.

Molecular Properties

Compound Name2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine
PubChem CID59438973
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine
SMILESC=C(C)OC1CCC(CC)N1C
InChIInChI=1S/C10H19NO/c1-5-9-6-7-10(11(9)4)12-8(2)3/h9-10H,2,5-7H2,1,3-4H3
InChIKeyGTDIPYIDSSPZEQ-UHFFFAOYSA-N
XLogP2.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.37
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 2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine?
The IUPAC name of 2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine (CID 59438973) is 2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine.
What is the SMILES notation for 2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine?
The canonical SMILES for 2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine is C=C(C)OC1CCC(CC)N1C.
What is the InChIKey of 2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine?
The InChIKey is GTDIPYIDSSPZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-9-6-7-10(11(9)4)12-8(2)3/h9-10H,2,5-7H2,1,3-4H3.
What are the key properties of 2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine?
2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-5-prop-1-en-2-yloxypyrrolidine is sourced from PubChem (CID 59438973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).