2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine

C11H21NO — CID 171753966

IUPAC2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1COC(C)C
InChIInChI=1S/C11H21NO/c1-4-7-12-8-5-6-11(12)9-13-10(2)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyFEBVEMAGTZFVOT-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.06
Rot. Bonds5

About 2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine

2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine (PubChem CID 171753966) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine
PubChem CID171753966
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1COC(C)C
InChIInChI=1S/C11H21NO/c1-4-7-12-8-5-6-11(12)9-13-10(2)3/h4,10-11H,1,5-9H2,2-3H3
InChIKeyFEBVEMAGTZFVOT-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.06
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 2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine?
The IUPAC name of 2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine (CID 171753966) is 2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine?
The canonical SMILES for 2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine is C=CCN1CCCC1COC(C)C.
What is the InChIKey of 2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine?
The InChIKey is FEBVEMAGTZFVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-7-12-8-5-6-11(12)9-13-10(2)3/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of 2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine?
2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-yloxymethyl)-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 171753966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).