(3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one

C11H11NO3 — CID 70961098

IUPAC(3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one
SMILESO=C1OCC/C1=C\Nc1ccc(O)cc1
InChIInChI=1S/C11H11NO3/c13-10-3-1-9(2-4-10)12-7-8-5-6-15-11(8)14/h1-4,7,12-13H,5-6H2/b8-7+
InChIKeyMNISGIYAVLUUQM-BQYQJAHWSA-N
MW205.21 g/mol
LogP1.63
Rot. Bonds2

About (3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one

(3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one (PubChem CID 70961098) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one.

Molecular Properties

Compound Name(3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one
PubChem CID70961098
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one
SMILESO=C1OCC/C1=C\Nc1ccc(O)cc1
InChIInChI=1S/C11H11NO3/c13-10-3-1-9(2-4-10)12-7-8-5-6-15-11(8)14/h1-4,7,12-13H,5-6H2/b8-7+
InChIKeyMNISGIYAVLUUQM-BQYQJAHWSA-N
XLogP1.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one
CID 4183072
(3Z)-3-[[3-[[(Z)-(2-oxooxolan-3-ylidene)methyl]amino]propylamino]methylidene]oxolan-2-one
CID 98526551
2-[[4-[(2-oxocyclohexylidene)methylamino]anilino]methylidene]cyclohexan-1-one
CID 3847923
5-[[4-(4-hydroxybenzoyl)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168538877
4-[[2-[2-(ethylamino)phenyl]cyclobutylidene]methylamino]phenol
CID 163899144
(3E)-3-[(4-fluorophenyl)methylidene]oxolan-2-one
CID 101127578
(3E)-3-[(4-methylphenyl)methylidene]oxolan-2-one
CID 6071028
2-(anilinomethylidene)cycloheptan-1-one
CID 3677087
(3E)-3-[(2,6-dichlorophenyl)methylidene]oxolan-2-one
CID 171376642
methyl 2-[(Z)-(2-oxooxolan-3-ylidene)methyl]benzoate
CID 11481668
N-[4-[[(E)-(2-oxocyclopentylidene)methyl]amino]phenyl]acetamide
CID 933987
4-[[(E)-(2-oxocyclohexylidene)methyl]amino]benzoic acid
CID 890959

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one?
The IUPAC name of (3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one (CID 70961098) is (3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one.
What is the SMILES notation for (3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one?
The canonical SMILES for (3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one is O=C1OCC/C1=C\Nc1ccc(O)cc1.
What is the InChIKey of (3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one?
The InChIKey is MNISGIYAVLUUQM-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-3-1-9(2-4-10)12-7-8-5-6-15-11(8)14/h1-4,7,12-13H,5-6H2/b8-7+.
What are the key properties of (3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one?
(3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one has a molecular weight of 205.21 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-hydroxyanilino)methylidene]oxolan-2-one is sourced from PubChem (CID 70961098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).