1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine

C10H19NO — CID 59438974

IUPAC1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C(C)OCC1CC(C)CN1C
InChIInChI=1S/C10H19NO/c1-8(2)12-7-10-5-9(3)6-11(10)4/h9-10H,1,5-7H2,2-4H3
InChIKeyFGZDYLSYNPBVMG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.88
Rot. Bonds3

About 1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine

1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine (PubChem CID 59438974) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
PubChem CID59438974
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C(C)OCC1CC(C)CN1C
InChIInChI=1S/C10H19NO/c1-8(2)12-7-10-5-9(3)6-11(10)4/h9-10H,1,5-7H2,2-4H3
InChIKeyFGZDYLSYNPBVMG-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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 1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The IUPAC name of 1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine (CID 59438974) is 1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine is C=C(C)OCC1CC(C)CN1C.
What is the InChIKey of 1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The InChIKey is FGZDYLSYNPBVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)12-7-10-5-9(3)6-11(10)4/h9-10H,1,5-7H2,2-4H3.
What are the key properties of 1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(prop-1-en-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 59438974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).