(2S)-2-(dimethoxymethyl)pyrrolidine

C7H15NO2 — CID 11658393

IUPAC(2S)-2-(dimethoxymethyl)pyrrolidine
SMILESCOC(OC)[C@@H]1CCCN1
InChIInChI=1S/C7H15NO2/c1-9-7(10-2)6-4-3-5-8-6/h6-8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyLFBFDWFWLJVLEO-LURJTMIESA-N
MW145.20 g/mol
LogP0.36
Rot. Bonds3

About (2S)-2-(dimethoxymethyl)pyrrolidine

(2S)-2-(dimethoxymethyl)pyrrolidine (PubChem CID 11658393) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (2S)-2-(dimethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(dimethoxymethyl)pyrrolidine
PubChem CID11658393
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(2S)-2-(dimethoxymethyl)pyrrolidine
SMILESCOC(OC)[C@@H]1CCCN1
InChIInChI=1S/C7H15NO2/c1-9-7(10-2)6-4-3-5-8-6/h6-8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyLFBFDWFWLJVLEO-LURJTMIESA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.36
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 (2S)-2-(dimethoxymethyl)pyrrolidine?
The IUPAC name of (2S)-2-(dimethoxymethyl)pyrrolidine (CID 11658393) is (2S)-2-(dimethoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(dimethoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-2-(dimethoxymethyl)pyrrolidine is COC(OC)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(dimethoxymethyl)pyrrolidine?
The InChIKey is LFBFDWFWLJVLEO-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-9-7(10-2)6-4-3-5-8-6/h6-8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-(dimethoxymethyl)pyrrolidine?
(2S)-2-(dimethoxymethyl)pyrrolidine has a molecular weight of 145.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethoxymethyl)pyrrolidine is sourced from PubChem (CID 11658393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).