2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine

C10H21NO — CID 79575494

IUPAC2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCCC1(COC(C)C)CCCN1
InChIInChI=1S/C10H21NO/c1-4-10(6-5-7-11-10)8-12-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyBHVFMHMFVHRBGU-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds4

About 2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine

2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 79575494) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID79575494
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCCC1(COC(C)C)CCCN1
InChIInChI=1S/C10H21NO/c1-4-10(6-5-7-11-10)8-12-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyBHVFMHMFVHRBGU-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 79575494) is 2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine is CCC1(COC(C)C)CCCN1.
What is the InChIKey of 2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is BHVFMHMFVHRBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(6-5-7-11-10)8-12-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine?
2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 79575494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).