2-(methoxymethyl)-1-prop-2-enylpyrrolidine

C9H17NO — CID 91368665

IUPAC2-(methoxymethyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1COC
InChIInChI=1S/C9H17NO/c1-3-6-10-7-4-5-9(10)8-11-2/h3,9H,1,4-8H2,2H3
InChIKeyMITYKHYUZZPYIB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds4

About 2-(methoxymethyl)-1-prop-2-enylpyrrolidine

2-(methoxymethyl)-1-prop-2-enylpyrrolidine (PubChem CID 91368665) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-prop-2-enylpyrrolidine.

Molecular Properties

Compound Name2-(methoxymethyl)-1-prop-2-enylpyrrolidine
PubChem CID91368665
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(methoxymethyl)-1-prop-2-enylpyrrolidine
SMILESC=CCN1CCCC1COC
InChIInChI=1S/C9H17NO/c1-3-6-10-7-4-5-9(10)8-11-2/h3,9H,1,4-8H2,2H3
InChIKeyMITYKHYUZZPYIB-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.28
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-(methoxymethyl)-1-prop-2-enylpyrrolidine?
The IUPAC name of 2-(methoxymethyl)-1-prop-2-enylpyrrolidine (CID 91368665) is 2-(methoxymethyl)-1-prop-2-enylpyrrolidine.
What is the SMILES notation for 2-(methoxymethyl)-1-prop-2-enylpyrrolidine?
The canonical SMILES for 2-(methoxymethyl)-1-prop-2-enylpyrrolidine is C=CCN1CCCC1COC.
What is the InChIKey of 2-(methoxymethyl)-1-prop-2-enylpyrrolidine?
The InChIKey is MITYKHYUZZPYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-6-10-7-4-5-9(10)8-11-2/h3,9H,1,4-8H2,2H3.
What are the key properties of 2-(methoxymethyl)-1-prop-2-enylpyrrolidine?
2-(methoxymethyl)-1-prop-2-enylpyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-prop-2-enylpyrrolidine is sourced from PubChem (CID 91368665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).