(2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine

C9H17NO — CID 174066669

IUPAC(2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine
SMILESC=C[C@@H]1CC[C@@H](COC)N1C
InChIInChI=1S/C9H17NO/c1-4-8-5-6-9(7-11-3)10(8)2/h4,8-9H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyWICLZTBJGXBOTG-BDAKNGLRSA-N
MW155.24 g/mol
LogP1.28
Rot. Bonds3

About (2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine

(2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 174066669) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine
PubChem CID174066669
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine
SMILESC=C[C@@H]1CC[C@@H](COC)N1C
InChIInChI=1S/C9H17NO/c1-4-8-5-6-9(7-11-3)10(8)2/h4,8-9H,1,5-7H2,2-3H3/t8-,9+/m1/s1
InChIKeyWICLZTBJGXBOTG-BDAKNGLRSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 (2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine (CID 174066669) is (2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine is C=C[C@@H]1CC[C@@H](COC)N1C.
What is the InChIKey of (2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is WICLZTBJGXBOTG-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-8-5-6-9(7-11-3)10(8)2/h4,8-9H,1,5-7H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of (2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine?
(2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-ethenyl-5-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 174066669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).