(2S)-2-(ethoxymethyl)-1-methylpyrrolidine

C8H17NO — CID 58134301

IUPAC(2S)-2-(ethoxymethyl)-1-methylpyrrolidine
SMILESCCOC[C@@H]1CCCN1C
InChIInChI=1S/C8H17NO/c1-3-10-7-8-5-4-6-9(8)2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyDPUCTIOOTNPUEO-QMMMGPOBSA-N
MW143.23 g/mol
LogP1.12
Rot. Bonds3

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

(2S)-2-(ethoxymethyl)-1-methylpyrrolidine (PubChem CID 58134301) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (2S)-2-(ethoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(ethoxymethyl)-1-methylpyrrolidine
PubChem CID58134301
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(2S)-2-(ethoxymethyl)-1-methylpyrrolidine
SMILESCCOC[C@@H]1CCCN1C
InChIInChI=1S/C8H17NO/c1-3-10-7-8-5-4-6-9(8)2/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyDPUCTIOOTNPUEO-QMMMGPOBSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (2S)-2-(ethoxymethyl)-1-methylpyrrolidine (CID 58134301) is (2S)-2-(ethoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-(ethoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-(ethoxymethyl)-1-methylpyrrolidine is CCOC[C@@H]1CCCN1C.
What is the InChIKey of (2S)-2-(ethoxymethyl)-1-methylpyrrolidine?
The InChIKey is DPUCTIOOTNPUEO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-10-7-8-5-4-6-9(8)2/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-(ethoxymethyl)-1-methylpyrrolidine?
(2S)-2-(ethoxymethyl)-1-methylpyrrolidine has a molecular weight of 143.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 58134301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).