2-iminooxolane-3,4-diol

C4H7NO3 — CID 122707056

IUPAC2-iminooxolane-3,4-diol
SMILES[H]/N=C1\OCC(O)C1O
InChIInChI=1S/C4H7NO3/c5-4-3(7)2(6)1-8-4/h2-3,5-7H,1H2/b5-4-
InChIKeyZDXQKWNLDZJTQL-PLNGDYQASA-N
MW117.10 g/mol
LogP-1.28
Rot. Bonds

About 2-iminooxolane-3,4-diol

2-iminooxolane-3,4-diol (PubChem CID 122707056) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 2-iminooxolane-3,4-diol.

Molecular Properties

Compound Name2-iminooxolane-3,4-diol
PubChem CID122707056
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2-iminooxolane-3,4-diol
SMILES[H]/N=C1\OCC(O)C1O
InChIInChI=1S/C4H7NO3/c5-4-3(7)2(6)1-8-4/h2-3,5-7H,1H2/b5-4-
InChIKeyZDXQKWNLDZJTQL-PLNGDYQASA-N
XLogP-1.28
TPSA73.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iminooxolane-3,4-diol?
The IUPAC name of 2-iminooxolane-3,4-diol (CID 122707056) is 2-iminooxolane-3,4-diol.
What is the SMILES notation for 2-iminooxolane-3,4-diol?
The canonical SMILES for 2-iminooxolane-3,4-diol is [H]/N=C1\OCC(O)C1O.
What is the InChIKey of 2-iminooxolane-3,4-diol?
The InChIKey is ZDXQKWNLDZJTQL-PLNGDYQASA-N. The full InChI is InChI=1S/C4H7NO3/c5-4-3(7)2(6)1-8-4/h2-3,5-7H,1H2/b5-4-.
What are the key properties of 2-iminooxolane-3,4-diol?
2-iminooxolane-3,4-diol has a molecular weight of 117.10 g/mol, XLogP of -1.28, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iminooxolane-3,4-diol is sourced from PubChem (CID 122707056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).