2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine

C10H21NO2 — CID 87341802

IUPAC2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine
SMILES[2H]C1([2H])CCC(C(C)(OCC)OCC)N1
InChIInChI=1S/C10H21NO2/c1-4-12-10(3,13-5-2)9-7-6-8-11-9/h9,11H,4-8H2,1-3H3/i8D2
InChIKeyJSKKDCMRNWEHKK-MGVXTIMCSA-N
MW189.30 g/mol
LogP1.53
Rot. Bonds5

About 2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine

2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine (PubChem CID 87341802) has the molecular formula C10H21NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine.

Molecular Properties

Compound Name2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine
PubChem CID87341802
Molecular FormulaC10H21NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine
SMILES[2H]C1([2H])CCC(C(C)(OCC)OCC)N1
InChIInChI=1S/C10H21NO2/c1-4-12-10(3,13-5-2)9-7-6-8-11-9/h9,11H,4-8H2,1-3H3/i8D2
InChIKeyJSKKDCMRNWEHKK-MGVXTIMCSA-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 ≤ 500189.30
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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Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine?
The IUPAC name of 2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine (CID 87341802) is 2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine.
What is the SMILES notation for 2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine?
The canonical SMILES for 2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine is [2H]C1([2H])CCC(C(C)(OCC)OCC)N1.
What is the InChIKey of 2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine?
The InChIKey is JSKKDCMRNWEHKK-MGVXTIMCSA-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/i8D2.
What are the key properties of 2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine?
2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine has a molecular weight of 189.30 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 2,2-dideuterio-5-(1,1-diethoxyethyl)pyrrolidine is sourced from PubChem (CID 87341802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).