[hydroxymethyl(methyl)amino]methanol;methylideneoxidanium

C4H12NO3+ — CID 154815679

IUPAC[hydroxymethyl(methyl)amino]methanol;methylideneoxidanium
SMILESCN(CO)CO.[H][O+]=C
InChIInChI=1S/C3H9NO2.CH2O/c1-4(2-5)3-6;1-2/h5-6H,2-3H2,1H3;1H2/p+1
InChIKeyWYYRLQDVNPPFED-UHFFFAOYSA-O
MW122.14 g/mol
LogP-1.39
Rot. Bonds2

About [hydroxymethyl(methyl)amino]methanol;methylideneoxidanium

[hydroxymethyl(methyl)amino]methanol;methylideneoxidanium (PubChem CID 154815679) has the molecular formula C4H12NO3+ and a molecular weight of 122.14 g/mol. Its IUPAC name is [hydroxymethyl(methyl)amino]methanol;methylideneoxidanium.

Molecular Properties

Compound Name[hydroxymethyl(methyl)amino]methanol;methylideneoxidanium
PubChem CID154815679
Molecular FormulaC4H12NO3+
Molecular Weight122.14 g/mol
Exact Mass122.08
IUPAC Name[hydroxymethyl(methyl)amino]methanol;methylideneoxidanium
SMILESCN(CO)CO.[H][O+]=C
InChIInChI=1S/C3H9NO2.CH2O/c1-4(2-5)3-6;1-2/h5-6H,2-3H2,1H3;1H2/p+1
InChIKeyWYYRLQDVNPPFED-UHFFFAOYSA-O
XLogP-1.39
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [hydroxymethyl(methyl)amino]methanol;methylideneoxidanium?
The IUPAC name of [hydroxymethyl(methyl)amino]methanol;methylideneoxidanium (CID 154815679) is [hydroxymethyl(methyl)amino]methanol;methylideneoxidanium.
What is the SMILES notation for [hydroxymethyl(methyl)amino]methanol;methylideneoxidanium?
The canonical SMILES for [hydroxymethyl(methyl)amino]methanol;methylideneoxidanium is CN(CO)CO.[H][O+]=C.
What is the InChIKey of [hydroxymethyl(methyl)amino]methanol;methylideneoxidanium?
The InChIKey is WYYRLQDVNPPFED-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NO2.CH2O/c1-4(2-5)3-6;1-2/h5-6H,2-3H2,1H3;1H2/p+1.
What are the key properties of [hydroxymethyl(methyl)amino]methanol;methylideneoxidanium?
[hydroxymethyl(methyl)amino]methanol;methylideneoxidanium has a molecular weight of 122.14 g/mol, XLogP of -1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxymethyl(methyl)amino]methanol;methylideneoxidanium is sourced from PubChem (CID 154815679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).