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

C10H21NO — CID 58782192

IUPAC1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCCN1CCCC1COC(C)C
InChIInChI=1S/C10H21NO/c1-4-11-7-5-6-10(11)8-12-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyHLZHBYQMSCDNHA-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.90
Rot. Bonds4

About 1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine

1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 58782192) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID58782192
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCCN1CCCC1COC(C)C
InChIInChI=1S/C10H21NO/c1-4-11-7-5-6-10(11)8-12-9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyHLZHBYQMSCDNHA-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of 1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 58782192) is 1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine is CCN1CCCC1COC(C)C.
What is the InChIKey of 1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is HLZHBYQMSCDNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-11-7-5-6-10(11)8-12-9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine?
1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 171.28 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 58782192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).