4-methoxy-1-methylpyrrolidin-3-ol

C6H13NO2 — CID 18406065

IUPAC4-methoxy-1-methylpyrrolidin-3-ol
SMILESCOC1CN(C)CC1O
InChIInChI=1S/C6H13NO2/c1-7-3-5(8)6(4-7)9-2/h5-6,8H,3-4H2,1-2H3
InChIKeyWVGMGFKCXPENCY-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.69
Rot. Bonds1

About 4-methoxy-1-methylpyrrolidin-3-ol

4-methoxy-1-methylpyrrolidin-3-ol (PubChem CID 18406065) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-methoxy-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name4-methoxy-1-methylpyrrolidin-3-ol
PubChem CID18406065
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name4-methoxy-1-methylpyrrolidin-3-ol
SMILESCOC1CN(C)CC1O
InChIInChI=1S/C6H13NO2/c1-7-3-5(8)6(4-7)9-2/h5-6,8H,3-4H2,1-2H3
InChIKeyWVGMGFKCXPENCY-UHFFFAOYSA-N
XLogP-0.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methylpyrrolidin-3-ol?
The IUPAC name of 4-methoxy-1-methylpyrrolidin-3-ol (CID 18406065) is 4-methoxy-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 4-methoxy-1-methylpyrrolidin-3-ol?
The canonical SMILES for 4-methoxy-1-methylpyrrolidin-3-ol is COC1CN(C)CC1O.
What is the InChIKey of 4-methoxy-1-methylpyrrolidin-3-ol?
The InChIKey is WVGMGFKCXPENCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-3-5(8)6(4-7)9-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 4-methoxy-1-methylpyrrolidin-3-ol?
4-methoxy-1-methylpyrrolidin-3-ol has a molecular weight of 131.18 g/mol, XLogP of -0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 18406065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).