4-methoxy-3,3-dimethylpyrrolidine

C7H15NO — CID 115011214

IUPAC4-methoxy-3,3-dimethylpyrrolidine
SMILESCOC1CNCC1(C)C
InChIInChI=1S/C7H15NO/c1-7(2)5-8-4-6(7)9-3/h6,8H,4-5H2,1-3H3
InChIKeyULABXABPWDXDFQ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.63
Rot. Bonds1

About 4-methoxy-3,3-dimethylpyrrolidine

4-methoxy-3,3-dimethylpyrrolidine (PubChem CID 115011214) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-methoxy-3,3-dimethylpyrrolidine.

Molecular Properties

Compound Name4-methoxy-3,3-dimethylpyrrolidine
PubChem CID115011214
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-methoxy-3,3-dimethylpyrrolidine
SMILESCOC1CNCC1(C)C
InChIInChI=1S/C7H15NO/c1-7(2)5-8-4-6(7)9-3/h6,8H,4-5H2,1-3H3
InChIKeyULABXABPWDXDFQ-UHFFFAOYSA-N
XLogP0.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,3-dimethylpyrrolidine?
The IUPAC name of 4-methoxy-3,3-dimethylpyrrolidine (CID 115011214) is 4-methoxy-3,3-dimethylpyrrolidine.
What is the SMILES notation for 4-methoxy-3,3-dimethylpyrrolidine?
The canonical SMILES for 4-methoxy-3,3-dimethylpyrrolidine is COC1CNCC1(C)C.
What is the InChIKey of 4-methoxy-3,3-dimethylpyrrolidine?
The InChIKey is ULABXABPWDXDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)5-8-4-6(7)9-3/h6,8H,4-5H2,1-3H3.
What are the key properties of 4-methoxy-3,3-dimethylpyrrolidine?
4-methoxy-3,3-dimethylpyrrolidine has a molecular weight of 129.20 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,3-dimethylpyrrolidine is sourced from PubChem (CID 115011214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).