3-(2-hydroxyanilino)oxolan-2-one

C10H11NO3 — CID 21306567

IUPAC3-(2-hydroxyanilino)oxolan-2-one
SMILESO=C1OCCC1Nc1ccccc1O
InChIInChI=1S/C10H11NO3/c12-9-4-2-1-3-7(9)11-8-5-6-14-10(8)13/h1-4,8,11-12H,5-6H2
InChIKeyXTTGFKZVZMDHMC-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.12
Rot. Bonds2

About 3-(2-hydroxyanilino)oxolan-2-one

3-(2-hydroxyanilino)oxolan-2-one (PubChem CID 21306567) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-(2-hydroxyanilino)oxolan-2-one.

Molecular Properties

Compound Name3-(2-hydroxyanilino)oxolan-2-one
PubChem CID21306567
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-(2-hydroxyanilino)oxolan-2-one
SMILESO=C1OCCC1Nc1ccccc1O
InChIInChI=1S/C10H11NO3/c12-9-4-2-1-3-7(9)11-8-5-6-14-10(8)13/h1-4,8,11-12H,5-6H2
InChIKeyXTTGFKZVZMDHMC-UHFFFAOYSA-N
XLogP1.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyanilino)oxolan-2-one?
The IUPAC name of 3-(2-hydroxyanilino)oxolan-2-one (CID 21306567) is 3-(2-hydroxyanilino)oxolan-2-one.
What is the SMILES notation for 3-(2-hydroxyanilino)oxolan-2-one?
The canonical SMILES for 3-(2-hydroxyanilino)oxolan-2-one is O=C1OCCC1Nc1ccccc1O.
What is the InChIKey of 3-(2-hydroxyanilino)oxolan-2-one?
The InChIKey is XTTGFKZVZMDHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9-4-2-1-3-7(9)11-8-5-6-14-10(8)13/h1-4,8,11-12H,5-6H2.
What are the key properties of 3-(2-hydroxyanilino)oxolan-2-one?
3-(2-hydroxyanilino)oxolan-2-one has a molecular weight of 193.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyanilino)oxolan-2-one is sourced from PubChem (CID 21306567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).