1-ethyl-3-methoxy-4-methylpyrrolidine

C8H17NO — CID 91075489

IUPAC1-ethyl-3-methoxy-4-methylpyrrolidine
SMILESCCN1CC(C)C(OC)C1
InChIInChI=1S/C8H17NO/c1-4-9-5-7(2)8(6-9)10-3/h7-8H,4-6H2,1-3H3
InChIKeyAXGMOZLHFFGFQZ-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.97
Rot. Bonds2

About 1-ethyl-3-methoxy-4-methylpyrrolidine

1-ethyl-3-methoxy-4-methylpyrrolidine (PubChem CID 91075489) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-ethyl-3-methoxy-4-methylpyrrolidine.

Molecular Properties

Compound Name1-ethyl-3-methoxy-4-methylpyrrolidine
PubChem CID91075489
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name1-ethyl-3-methoxy-4-methylpyrrolidine
SMILESCCN1CC(C)C(OC)C1
InChIInChI=1S/C8H17NO/c1-4-9-5-7(2)8(6-9)10-3/h7-8H,4-6H2,1-3H3
InChIKeyAXGMOZLHFFGFQZ-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methoxy-4-methylpyrrolidine?
The IUPAC name of 1-ethyl-3-methoxy-4-methylpyrrolidine (CID 91075489) is 1-ethyl-3-methoxy-4-methylpyrrolidine.
What is the SMILES notation for 1-ethyl-3-methoxy-4-methylpyrrolidine?
The canonical SMILES for 1-ethyl-3-methoxy-4-methylpyrrolidine is CCN1CC(C)C(OC)C1.
What is the InChIKey of 1-ethyl-3-methoxy-4-methylpyrrolidine?
The InChIKey is AXGMOZLHFFGFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-9-5-7(2)8(6-9)10-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-ethyl-3-methoxy-4-methylpyrrolidine?
1-ethyl-3-methoxy-4-methylpyrrolidine has a molecular weight of 143.23 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxy-4-methylpyrrolidine is sourced from PubChem (CID 91075489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).