2-(1,1-diethoxyethyl)pyrrolidine

C10H21NO2 — CID 52915696

IUPAC2-(1,1-diethoxyethyl)pyrrolidine
SMILESCCOC(C)(OCC)C1CCCN1
InChIInChI=1S/C10H21NO2/c1-4-12-10(3,13-5-2)9-7-6-8-11-9/h9,11H,4-8H2,1-3H3
InChIKeyJSKKDCMRNWEHKK-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.53
Rot. Bonds5

About 2-(1,1-diethoxyethyl)pyrrolidine

2-(1,1-diethoxyethyl)pyrrolidine (PubChem CID 52915696) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-(1,1-diethoxyethyl)pyrrolidine.

Molecular Properties

Compound Name2-(1,1-diethoxyethyl)pyrrolidine
PubChem CID52915696
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-(1,1-diethoxyethyl)pyrrolidine
SMILESCCOC(C)(OCC)C1CCCN1
InChIInChI=1S/C10H21NO2/c1-4-12-10(3,13-5-2)9-7-6-8-11-9/h9,11H,4-8H2,1-3H3
InChIKeyJSKKDCMRNWEHKK-UHFFFAOYSA-N
XLogP1.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(R,R)-(-)-2,5-Bis(methoxymethyl)pyrrolidine
CID 2724974
(S,S)-(+)-2,5-Bis(methoxymethyl)pyrrolidine
CID 7019262
(2R,5R)-2,5-Bis((methoxymethoxy)methyl)pyrrolidine
CID 10751346
(2s,5s)-2,5-Bis(methoxymethoxy-methyl)pyrrolidine
CID 13263697
(2R)-2-(1-ethoxyethoxymethyl)-4,4-difluoropyrrolidine
CID 141392275
2,2-Dideuterio-5-(1,1-diethoxyethyl)pyrrolidine
CID 87341802
2-(2-Methyl-1,3-dioxolan-2-yl)piperidine
CID 129910706
2-(1-Ethoxyethoxymethyl)pyrrolidine
CID 5323861
(2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine
CID 10773501
(2S)-2-(2-methoxyethoxymethyl)pyrrolidine
CID 13397237
(2R)-2-[[(1R)-1-ethoxyethoxy]methyl]pyrrolidine
CID 15939067
(2S)-2-(2-methoxyethoxymethoxymethyl)pyrrolidine
CID 71355696

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diethoxyethyl)pyrrolidine?
The IUPAC name of 2-(1,1-diethoxyethyl)pyrrolidine (CID 52915696) is 2-(1,1-diethoxyethyl)pyrrolidine.
What is the SMILES notation for 2-(1,1-diethoxyethyl)pyrrolidine?
The canonical SMILES for 2-(1,1-diethoxyethyl)pyrrolidine is CCOC(C)(OCC)C1CCCN1.
What is the InChIKey of 2-(1,1-diethoxyethyl)pyrrolidine?
The InChIKey is JSKKDCMRNWEHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-12-10(3,13-5-2)9-7-6-8-11-9/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-(1,1-diethoxyethyl)pyrrolidine?
2-(1,1-diethoxyethyl)pyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diethoxyethyl)pyrrolidine is sourced from PubChem (CID 52915696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).