3-methoxy-1,4-dimethylpyrrolidine

C7H15NO — CID 58944796

IUPAC3-methoxy-1,4-dimethylpyrrolidine
SMILESCOC1CN(C)CC1C
InChIInChI=1S/C7H15NO/c1-6-4-8(2)5-7(6)9-3/h6-7H,4-5H2,1-3H3
InChIKeyRBRIVPKBTYDNPW-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.58
Rot. Bonds1

About 3-methoxy-1,4-dimethylpyrrolidine

3-methoxy-1,4-dimethylpyrrolidine (PubChem CID 58944796) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-methoxy-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Name3-methoxy-1,4-dimethylpyrrolidine
PubChem CID58944796
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-methoxy-1,4-dimethylpyrrolidine
SMILESCOC1CN(C)CC1C
InChIInChI=1S/C7H15NO/c1-6-4-8(2)5-7(6)9-3/h6-7H,4-5H2,1-3H3
InChIKeyRBRIVPKBTYDNPW-UHFFFAOYSA-N
XLogP0.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,4-dimethylpyrrolidine?
The IUPAC name of 3-methoxy-1,4-dimethylpyrrolidine (CID 58944796) is 3-methoxy-1,4-dimethylpyrrolidine.
What is the SMILES notation for 3-methoxy-1,4-dimethylpyrrolidine?
The canonical SMILES for 3-methoxy-1,4-dimethylpyrrolidine is COC1CN(C)CC1C.
What is the InChIKey of 3-methoxy-1,4-dimethylpyrrolidine?
The InChIKey is RBRIVPKBTYDNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-6-4-8(2)5-7(6)9-3/h6-7H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-1,4-dimethylpyrrolidine?
3-methoxy-1,4-dimethylpyrrolidine has a molecular weight of 129.20 g/mol, XLogP of 0.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,4-dimethylpyrrolidine is sourced from PubChem (CID 58944796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).