2,2-diethoxy-1-ethylpyrrolidine

C10H21NO2 — CID 15748644

IUPAC2,2-diethoxy-1-ethylpyrrolidine
SMILESCCOC1(OCC)CCCN1CC
InChIInChI=1S/C10H21NO2/c1-4-11-9-7-8-10(11,12-5-2)13-6-3/h4-9H2,1-3H3
InChIKeyBILUIDGLAQDNBC-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.83
Rot. Bonds5

About 2,2-diethoxy-1-ethylpyrrolidine

2,2-diethoxy-1-ethylpyrrolidine (PubChem CID 15748644) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2,2-diethoxy-1-ethylpyrrolidine.

Molecular Properties

Compound Name2,2-diethoxy-1-ethylpyrrolidine
PubChem CID15748644
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2,2-diethoxy-1-ethylpyrrolidine
SMILESCCOC1(OCC)CCCN1CC
InChIInChI=1S/C10H21NO2/c1-4-11-9-7-8-10(11,12-5-2)13-6-3/h4-9H2,1-3H3
InChIKeyBILUIDGLAQDNBC-UHFFFAOYSA-N
XLogP1.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-1-ethylpyrrolidine?
The IUPAC name of 2,2-diethoxy-1-ethylpyrrolidine (CID 15748644) is 2,2-diethoxy-1-ethylpyrrolidine.
What is the SMILES notation for 2,2-diethoxy-1-ethylpyrrolidine?
The canonical SMILES for 2,2-diethoxy-1-ethylpyrrolidine is CCOC1(OCC)CCCN1CC.
What is the InChIKey of 2,2-diethoxy-1-ethylpyrrolidine?
The InChIKey is BILUIDGLAQDNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-11-9-7-8-10(11,12-5-2)13-6-3/h4-9H2,1-3H3.
What are the key properties of 2,2-diethoxy-1-ethylpyrrolidine?
2,2-diethoxy-1-ethylpyrrolidine has a molecular weight of 187.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-1-ethylpyrrolidine is sourced from PubChem (CID 15748644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).