3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine

C10H21NO — CID 170577525

IUPAC3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine
SMILESCCC1CN(C(C)C)CC1OC
InChIInChI=1S/C10H21NO/c1-5-9-6-11(8(2)3)7-10(9)12-4/h8-10H,5-7H2,1-4H3
InChIKeyICZOCJVQYMBRJW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds3

About 3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine

3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine (PubChem CID 170577525) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine
PubChem CID170577525
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine
SMILESCCC1CN(C(C)C)CC1OC
InChIInChI=1S/C10H21NO/c1-5-9-6-11(8(2)3)7-10(9)12-4/h8-10H,5-7H2,1-4H3
InChIKeyICZOCJVQYMBRJW-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine?
The IUPAC name of 3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine (CID 170577525) is 3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine?
The canonical SMILES for 3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine is CCC1CN(C(C)C)CC1OC.
What is the InChIKey of 3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine?
The InChIKey is ICZOCJVQYMBRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-9-6-11(8(2)3)7-10(9)12-4/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine?
3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxy-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 170577525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).