2-(aminooxymethyl)-1-methylpyrrolidin-3-ol

C6H14N2O2 — CID 168881296

IUPAC2-(aminooxymethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)C1CON
InChIInChI=1S/C6H14N2O2/c1-8-3-2-6(9)5(8)4-10-7/h5-6,9H,2-4,7H2,1H3
InChIKeyBIGMLIGYKIUUIB-UHFFFAOYSA-N
MW146.19 g/mol
LogP-1.06
Rot. Bonds2

About 2-(aminooxymethyl)-1-methylpyrrolidin-3-ol

2-(aminooxymethyl)-1-methylpyrrolidin-3-ol (PubChem CID 168881296) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-(aminooxymethyl)-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name2-(aminooxymethyl)-1-methylpyrrolidin-3-ol
PubChem CID168881296
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name2-(aminooxymethyl)-1-methylpyrrolidin-3-ol
SMILESCN1CCC(O)C1CON
InChIInChI=1S/C6H14N2O2/c1-8-3-2-6(9)5(8)4-10-7/h5-6,9H,2-4,7H2,1H3
InChIKeyBIGMLIGYKIUUIB-UHFFFAOYSA-N
XLogP-1.06
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(hydroxymethyl)-1-methylpyrrolidin-3-ol
CID 20607201
(2R,3S)-2-(ethoxymethyl)-1-methylpyrrolidin-3-ol
CID 89143057
1-methyl-2-(methylaminooxymethyl)pyrrolidin-3-ol
CID 170291188
(2R)-2-ethyl-1-methylpyrrolidin-3-ol
CID 143895673
2-methoxy-1-methylpyrrolidin-3-ol
CID 139998921
(2S,3S,4S)-1-methylpiperidine-2,3,4-triol
CID 70216582
ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol
CID 177009838
[(2R,3S)-3-methoxy-1-methylpyrrolidin-2-yl]methanol
CID 58778533
(2R,3R,4R)-2-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
CID 164537384
(1,3-dimethylpyrrolidin-2-yl)methanamine
CID 58841122
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
(4S)-4-(aminomethyl)-1-(3-methoxypropyl)piperidin-3-ol
CID 70949431

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-1-methylpyrrolidin-3-ol?
The IUPAC name of 2-(aminooxymethyl)-1-methylpyrrolidin-3-ol (CID 168881296) is 2-(aminooxymethyl)-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 2-(aminooxymethyl)-1-methylpyrrolidin-3-ol?
The canonical SMILES for 2-(aminooxymethyl)-1-methylpyrrolidin-3-ol is CN1CCC(O)C1CON.
What is the InChIKey of 2-(aminooxymethyl)-1-methylpyrrolidin-3-ol?
The InChIKey is BIGMLIGYKIUUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-8-3-2-6(9)5(8)4-10-7/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 2-(aminooxymethyl)-1-methylpyrrolidin-3-ol?
2-(aminooxymethyl)-1-methylpyrrolidin-3-ol has a molecular weight of 146.19 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 168881296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).