4-phenyliminooxolan-2-one

C10H9NO2 — CID 57249190

IUPAC4-phenyliminooxolan-2-one
SMILESO=C1C/C(=N/c2ccccc2)CO1
InChIInChI=1S/C10H9NO2/c12-10-6-9(7-13-10)11-8-4-2-1-3-5-8/h1-5H,6-7H2/b11-9-
InChIKeyCWMDOWMCLIROLX-LUAWRHEFSA-N
MW175.19 g/mol
LogP1.71
Rot. Bonds1

About 4-phenyliminooxolan-2-one

4-phenyliminooxolan-2-one (PubChem CID 57249190) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-phenyliminooxolan-2-one.

Molecular Properties

Compound Name4-phenyliminooxolan-2-one
PubChem CID57249190
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-phenyliminooxolan-2-one
SMILESO=C1C/C(=N/c2ccccc2)CO1
InChIInChI=1S/C10H9NO2/c12-10-6-9(7-13-10)11-8-4-2-1-3-5-8/h1-5H,6-7H2/b11-9-
InChIKeyCWMDOWMCLIROLX-LUAWRHEFSA-N
XLogP1.71
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
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-phenyliminooxolan-2-one?
The IUPAC name of 4-phenyliminooxolan-2-one (CID 57249190) is 4-phenyliminooxolan-2-one.
What is the SMILES notation for 4-phenyliminooxolan-2-one?
The canonical SMILES for 4-phenyliminooxolan-2-one is O=C1C/C(=N/c2ccccc2)CO1.
What is the InChIKey of 4-phenyliminooxolan-2-one?
The InChIKey is CWMDOWMCLIROLX-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-6-9(7-13-10)11-8-4-2-1-3-5-8/h1-5H,6-7H2/b11-9-.
What are the key properties of 4-phenyliminooxolan-2-one?
4-phenyliminooxolan-2-one has a molecular weight of 175.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyliminooxolan-2-one is sourced from PubChem (CID 57249190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).