2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine

C11H21NO — CID 130892841

IUPAC2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine
SMILESCC1CN(CCC2CO2)C(C)(C)C1
InChIInChI=1S/C11H21NO/c1-9-6-11(2,3)12(7-9)5-4-10-8-13-10/h9-10H,4-8H2,1-3H3
InChIKeyNLRHCHMDQGYLFI-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds3

About 2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine

2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine (PubChem CID 130892841) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine
PubChem CID130892841
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine
SMILESCC1CN(CCC2CO2)C(C)(C)C1
InChIInChI=1S/C11H21NO/c1-9-6-11(2,3)12(7-9)5-4-10-8-13-10/h9-10H,4-8H2,1-3H3
InChIKeyNLRHCHMDQGYLFI-UHFFFAOYSA-N
XLogP1.90
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(2,2,4-trimethylpyrrolidin-1-yl)propanenitrile
CID 130658926
6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]hexan-1-ol
CID 97091404
2-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]prop-2-ene-1-thiol
CID 130909021
1,4-dimethyl-N-[2-(oxiran-2-yl)ethyl]cyclohex-2-en-1-amine
CID 123773740
5-[(2,2,4-trimethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903534
2-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]morpholine
CID 66426865
1,2,2,4,6,6-hexamethylpiperidine;methane
CID 159576451
1,2,2,4,6,6-hexamethylpiperidine;vanadium
CID 159209902
butane;1,2,2,4,6,6-hexamethylpiperidine;methane
CID 158536756
2,2,4,6,6-pentamethyl-1-propylpiperidine
CID 23377309
2-[2-(4-methylcyclohexyl)ethyl]oxirane
CID 58971302
(1S)-5-[(1-methylcyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
CID 170374659

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine?
The IUPAC name of 2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine (CID 130892841) is 2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine is CC1CN(CCC2CO2)C(C)(C)C1.
What is the InChIKey of 2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine?
The InChIKey is NLRHCHMDQGYLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-6-11(2,3)12(7-9)5-4-10-8-13-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine?
2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-[2-(oxiran-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 130892841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).