azane;hydroxymethoxymethanol

C2H9NO3 — CID 174600745

IUPACazane;hydroxymethoxymethanol
SMILESN.OCOCO
InChIInChI=1S/C2H6O3.H3N/c3-1-5-2-4;/h3-4H,1-2H2;1H3
InChIKeyFOYADSMJFOMVIP-UHFFFAOYSA-N
MW95.10 g/mol
LogP-0.94
Rot. Bonds2

About azane;hydroxymethoxymethanol

azane;hydroxymethoxymethanol (PubChem CID 174600745) has the molecular formula C2H9NO3 and a molecular weight of 95.10 g/mol. Its IUPAC name is azane;hydroxymethoxymethanol.

Molecular Properties

Compound Nameazane;hydroxymethoxymethanol
PubChem CID174600745
Molecular FormulaC2H9NO3
Molecular Weight95.10 g/mol
Exact Mass95.06
IUPAC Nameazane;hydroxymethoxymethanol
SMILESN.OCOCO
InChIInChI=1S/C2H6O3.H3N/c3-1-5-2-4;/h3-4H,1-2H2;1H3
InChIKeyFOYADSMJFOMVIP-UHFFFAOYSA-N
XLogP-0.94
TPSA84.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;hydroxymethoxymethanol?
The IUPAC name of azane;hydroxymethoxymethanol (CID 174600745) is azane;hydroxymethoxymethanol.
What is the SMILES notation for azane;hydroxymethoxymethanol?
The canonical SMILES for azane;hydroxymethoxymethanol is N.OCOCO.
What is the InChIKey of azane;hydroxymethoxymethanol?
The InChIKey is FOYADSMJFOMVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O3.H3N/c3-1-5-2-4;/h3-4H,1-2H2;1H3.
What are the key properties of azane;hydroxymethoxymethanol?
azane;hydroxymethoxymethanol has a molecular weight of 95.10 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxymethoxymethanol is sourced from PubChem (CID 174600745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).