4-iminooxolan-2-one

C4H5NO2 — CID 57115659

IUPAC4-iminooxolan-2-one
SMILES[H]/N=C1\COC(=O)C1
InChIInChI=1S/C4H5NO2/c5-3-1-4(6)7-2-3/h5H,1-2H2/b5-3-
InChIKeyKITSQDKRUBQKOD-HYXAFXHYSA-N
MW99.09 g/mol
LogP-0.05
Rot. Bonds

About 4-iminooxolan-2-one

4-iminooxolan-2-one (PubChem CID 57115659) has the molecular formula C4H5NO2 and a molecular weight of 99.09 g/mol. Its IUPAC name is 4-iminooxolan-2-one.

Molecular Properties

Compound Name4-iminooxolan-2-one
PubChem CID57115659
Molecular FormulaC4H5NO2
Molecular Weight99.09 g/mol
Exact Mass99.03
IUPAC Name4-iminooxolan-2-one
SMILES[H]/N=C1\COC(=O)C1
InChIInChI=1S/C4H5NO2/c5-3-1-4(6)7-2-3/h5H,1-2H2/b5-3-
InChIKeyKITSQDKRUBQKOD-HYXAFXHYSA-N
XLogP-0.05
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-iminooxolan-2-one?
The IUPAC name of 4-iminooxolan-2-one (CID 57115659) is 4-iminooxolan-2-one.
What is the SMILES notation for 4-iminooxolan-2-one?
The canonical SMILES for 4-iminooxolan-2-one is [H]/N=C1\COC(=O)C1.
What is the InChIKey of 4-iminooxolan-2-one?
The InChIKey is KITSQDKRUBQKOD-HYXAFXHYSA-N. The full InChI is InChI=1S/C4H5NO2/c5-3-1-4(6)7-2-3/h5H,1-2H2/b5-3-.
What are the key properties of 4-iminooxolan-2-one?
4-iminooxolan-2-one has a molecular weight of 99.09 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iminooxolan-2-one is sourced from PubChem (CID 57115659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).