2-methoxy-1-methylpyrrolidin-3-ol

C6H13NO2 — CID 139998921

IUPAC2-methoxy-1-methylpyrrolidin-3-ol
SMILESCOC1C(O)CCN1C
InChIInChI=1S/C6H13NO2/c1-7-4-3-5(8)6(7)9-2/h5-6,8H,3-4H2,1-2H3
InChIKeyXSQKGPMVKUYSJR-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.34
Rot. Bonds1

About 2-methoxy-1-methylpyrrolidin-3-ol

2-methoxy-1-methylpyrrolidin-3-ol (PubChem CID 139998921) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-methoxy-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-methoxy-1-methylpyrrolidin-3-ol
PubChem CID139998921
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-methoxy-1-methylpyrrolidin-3-ol
SMILESCOC1C(O)CCN1C
InChIInChI=1S/C6H13NO2/c1-7-4-3-5(8)6(7)9-2/h5-6,8H,3-4H2,1-2H3
InChIKeyXSQKGPMVKUYSJR-UHFFFAOYSA-N
XLogP-0.34
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 ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-1-methylpyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 20607201
2-(aminooxymethyl)-1-methylpyrrolidin-3-ol
CID 168881296
(2S,3S,4S)-1-methylpiperidine-2,3,4-triol
CID 70216582
ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol
CID 177009838
(4S)-1-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-4-ol
CID 130891305
(3S,4S)-3-methoxy-1-methylpiperidin-4-ol
CID 154669394
(2R)-2-ethyl-1-methylpyrrolidin-3-ol
CID 143895673
(2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol
CID 89143057
[(2R,3S)-3-methoxy-1-methylpyrrolidin-2-yl]methanol
CID 58778533
1-methyl-2-(methylaminooxymethyl)pyrrolidin-3-ol
CID 170291188
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
1-(3-methoxy-1-methylpyrrolidin-2-yl)ethanone
CID 176999093

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methylpyrrolidin-3-ol?
The IUPAC name of 2-methoxy-1-methylpyrrolidin-3-ol (CID 139998921) is 2-methoxy-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 2-methoxy-1-methylpyrrolidin-3-ol?
The canonical SMILES for 2-methoxy-1-methylpyrrolidin-3-ol is COC1C(O)CCN1C.
What is the InChIKey of 2-methoxy-1-methylpyrrolidin-3-ol?
The InChIKey is XSQKGPMVKUYSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-7-4-3-5(8)6(7)9-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2-methoxy-1-methylpyrrolidin-3-ol?
2-methoxy-1-methylpyrrolidin-3-ol has a molecular weight of 131.18 g/mol, XLogP of -0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 139998921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).