(2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine

C12H25NO3 — CID 156512139

IUPAC(2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine
SMILESCCOCOOC(CC)[C@@H]1CCCN1CC
InChIInChI=1S/C12H25NO3/c1-4-12(16-15-10-14-6-3)11-8-7-9-13(11)5-2/h11-12H,4-10H2,1-3H3/t11-,12?/m0/s1
InChIKeyGKEVLCAMVGOHAB-PXYINDEMSA-N
MW231.34 g/mol
LogP2.19
Rot. Bonds8

About (2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine

(2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine (PubChem CID 156512139) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is (2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine
PubChem CID156512139
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name(2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine
SMILESCCOCOOC(CC)[C@@H]1CCCN1CC
InChIInChI=1S/C12H25NO3/c1-4-12(16-15-10-14-6-3)11-8-7-9-13(11)5-2/h11-12H,4-10H2,1-3H3/t11-,12?/m0/s1
InChIKeyGKEVLCAMVGOHAB-PXYINDEMSA-N
XLogP2.19
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-propan-2-ylpyrrolidine;(2S)-1-ethyl-2-propan-2-ylpyrrolidine;(2R)-1-ethyl-2-propan-2-ylpyrrolidine
CID 161279847
1-(1-ethylpyrrolidin-2-yl)ethanamine
CID 18672993
ethane;1-ethyl-2-(1-propan-2-yloxyethyl)pyrrolidine
CID 177010106
1-[6-[1-[(2S)-1-ethylpyrrolidin-2-yl]propoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175769730
(1S)-1-[(2R)-1-(2-ethoxyethyl)piperidin-2-yl]propan-1-ol
CID 95634837
2-[1-(3,5-dichlorophenoxy)ethyl]-1-ethylpyrrolidine
CID 23318303
1-(2-ethoxyethyl)-2-methylpyrrolidine
CID 175912703
(1-ethylpyrrolidin-2-yl)-λ2-stannane
CID 174710208
(4-benzylphenoxy)-(1-ethylpyrrolidin-2-yl)methanol
CID 67649751
2-(bromomethyl)-1-(2-ethoxyethyl)piperidine
CID 80674315
(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
1-ethyl-2-methyl-3-propan-2-ylpiperidine
CID 154952933

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine?
The IUPAC name of (2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine (CID 156512139) is (2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine.
What is the SMILES notation for (2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine?
The canonical SMILES for (2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine is CCOCOOC(CC)[C@@H]1CCCN1CC.
What is the InChIKey of (2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine?
The InChIKey is GKEVLCAMVGOHAB-PXYINDEMSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-12(16-15-10-14-6-3)11-8-7-9-13(11)5-2/h11-12H,4-10H2,1-3H3/t11-,12?/m0/s1.
What are the key properties of (2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine?
(2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine has a molecular weight of 231.34 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(ethoxymethylperoxy)propyl]-1-ethylpyrrolidine is sourced from PubChem (CID 156512139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).