(3S)-1-ethyl-3-methoxypyrrolidine

C7H15NO — CID 58336057

IUPAC(3S)-1-ethyl-3-methoxypyrrolidine
SMILESCCN1CC[C@H](OC)C1
InChIInChI=1S/C7H15NO/c1-3-8-5-4-7(6-8)9-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyZESSYXIQJQMJQN-ZETCQYMHSA-N
MW129.20 g/mol
LogP0.73
Rot. Bonds2

About (3S)-1-ethyl-3-methoxypyrrolidine

(3S)-1-ethyl-3-methoxypyrrolidine (PubChem CID 58336057) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (3S)-1-ethyl-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3S)-1-ethyl-3-methoxypyrrolidine
PubChem CID58336057
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(3S)-1-ethyl-3-methoxypyrrolidine
SMILESCCN1CC[C@H](OC)C1
InChIInChI=1S/C7H15NO/c1-3-8-5-4-7(6-8)9-2/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyZESSYXIQJQMJQN-ZETCQYMHSA-N
XLogP0.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-methoxypyrrolidine?
The IUPAC name of (3S)-1-ethyl-3-methoxypyrrolidine (CID 58336057) is (3S)-1-ethyl-3-methoxypyrrolidine.
What is the SMILES notation for (3S)-1-ethyl-3-methoxypyrrolidine?
The canonical SMILES for (3S)-1-ethyl-3-methoxypyrrolidine is CCN1CC[C@H](OC)C1.
What is the InChIKey of (3S)-1-ethyl-3-methoxypyrrolidine?
The InChIKey is ZESSYXIQJQMJQN-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-8-5-4-7(6-8)9-2/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-methoxypyrrolidine?
(3S)-1-ethyl-3-methoxypyrrolidine has a molecular weight of 129.20 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-methoxypyrrolidine is sourced from PubChem (CID 58336057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).