(2S)-2-(ethenoxymethyl)-1-methylpyrrolidine

C8H15NO — CID 59825166

IUPAC(2S)-2-(ethenoxymethyl)-1-methylpyrrolidine
SMILESC=COC[C@@H]1CCCN1C
InChIInChI=1S/C8H15NO/c1-3-10-7-8-5-4-6-9(8)2/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyHVMHRMUIIWUWQK-QMMMGPOBSA-N
MW141.21 g/mol
LogP1.24
Rot. Bonds3

About (2S)-2-(ethenoxymethyl)-1-methylpyrrolidine

(2S)-2-(ethenoxymethyl)-1-methylpyrrolidine (PubChem CID 59825166) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S)-2-(ethenoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(ethenoxymethyl)-1-methylpyrrolidine
PubChem CID59825166
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S)-2-(ethenoxymethyl)-1-methylpyrrolidine
SMILESC=COC[C@@H]1CCCN1C
InChIInChI=1S/C8H15NO/c1-3-10-7-8-5-4-6-9(8)2/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyHVMHRMUIIWUWQK-QMMMGPOBSA-N
XLogP1.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.24
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 (2S)-2-(ethenoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (2S)-2-(ethenoxymethyl)-1-methylpyrrolidine (CID 59825166) is (2S)-2-(ethenoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-(ethenoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-(ethenoxymethyl)-1-methylpyrrolidine is C=COC[C@@H]1CCCN1C.
What is the InChIKey of (2S)-2-(ethenoxymethyl)-1-methylpyrrolidine?
The InChIKey is HVMHRMUIIWUWQK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-10-7-8-5-4-6-9(8)2/h3,8H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (2S)-2-(ethenoxymethyl)-1-methylpyrrolidine?
(2S)-2-(ethenoxymethyl)-1-methylpyrrolidine has a molecular weight of 141.21 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethenoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 59825166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).