3-methoxypyrrolidine

C5H11NO — CID 11355447

IUPAC3-methoxypyrrolidine
SMILESCOC1CCNC1
InChIInChI=1S/C5H11NO/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3
InChIKeyBWRWNUQAQPAYCK-UHFFFAOYSA-N
MW101.15 g/mol
LogP-0.01
Rot. Bonds1

About 3-methoxypyrrolidine

3-methoxypyrrolidine (PubChem CID 11355447) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-methoxypyrrolidine.

Molecular Properties

Compound Name3-methoxypyrrolidine
PubChem CID11355447
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-methoxypyrrolidine
SMILESCOC1CCNC1
InChIInChI=1S/C5H11NO/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3
InChIKeyBWRWNUQAQPAYCK-UHFFFAOYSA-N
XLogP-0.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxypyrrolidine?
The IUPAC name of 3-methoxypyrrolidine (CID 11355447) is 3-methoxypyrrolidine.
What is the SMILES notation for 3-methoxypyrrolidine?
The canonical SMILES for 3-methoxypyrrolidine is COC1CCNC1.
What is the InChIKey of 3-methoxypyrrolidine?
The InChIKey is BWRWNUQAQPAYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-7-5-2-3-6-4-5/h5-6H,2-4H2,1H3.
What are the key properties of 3-methoxypyrrolidine?
3-methoxypyrrolidine has a molecular weight of 101.15 g/mol, XLogP of -0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyrrolidine is sourced from PubChem (CID 11355447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).