(2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine

C9H18NO- — CID 88578408

IUPAC(2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine
SMILES[CH2-]N1[C@@H](CC)CC[C@H]1COC
InChIInChI=1S/C9H18NO/c1-4-8-5-6-9(7-11-3)10(8)2/h8-9H,2,4-7H2,1,3H3/q-1/t8-,9-/m0/s1
InChIKeyWFOVXLBIACECAN-IUCAKERBSA-N
MW156.25 g/mol
LogP1.67
Rot. Bonds3

About (2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine

(2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine (PubChem CID 88578408) has the molecular formula C9H18NO- and a molecular weight of 156.25 g/mol. Its IUPAC name is (2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine
PubChem CID88578408
Molecular FormulaC9H18NO-
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name(2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine
SMILES[CH2-]N1[C@@H](CC)CC[C@H]1COC
InChIInChI=1S/C9H18NO/c1-4-8-5-6-9(7-11-3)10(8)2/h8-9H,2,4-7H2,1,3H3/q-1/t8-,9-/m0/s1
InChIKeyWFOVXLBIACECAN-IUCAKERBSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine (CID 88578408) is (2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine is [CH2-]N1[C@@H](CC)CC[C@H]1COC.
What is the InChIKey of (2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine?
The InChIKey is WFOVXLBIACECAN-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18NO/c1-4-8-5-6-9(7-11-3)10(8)2/h8-9H,2,4-7H2,1,3H3/q-1/t8-,9-/m0/s1.
What are the key properties of (2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine?
(2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine has a molecular weight of 156.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-ethyl-1-methanidyl-5-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 88578408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).