1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one

C11H11NO3 — CID 59696096

IUPAC1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one
SMILESO=C1C(=Cc2ccc(O)cc2)N1CCO
InChIInChI=1S/C11H11NO3/c13-6-5-12-10(11(12)15)7-8-1-3-9(14)4-2-8/h1-4,7,13-14H,5-6H2
InChIKeyNWRDZHSOWCQRHG-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.57
Rot. Bonds3

About 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one

1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one (PubChem CID 59696096) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one
PubChem CID59696096
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one
SMILESO=C1C(=Cc2ccc(O)cc2)N1CCO
InChIInChI=1S/C11H11NO3/c13-6-5-12-10(11(12)15)7-8-1-3-9(14)4-2-8/h1-4,7,13-14H,5-6H2
InChIKeyNWRDZHSOWCQRHG-UHFFFAOYSA-N
XLogP0.57
TPSA60.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-benzylidene-2-(2-hydroxyethyl)isoindol-1-one
CID 177425418
3-(2-hydroxyethyl)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 71832942
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126554488
methyl 2-[(5Z)-3-(4-chlorophenyl)-5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
CID 126065728
(3Z,6Z)-3,6-bis[(4-hydroxyphenyl)methylidene]piperazine-2,5-dione
CID 6048958
3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1351149
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 122711493
benzene-1,3,5-triol;2-(2-hydroxyethyl)isoindole-1,3-dione
CID 139145891
(5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-methylimidazol-4-one
CID 102017980
(5Z)-5-[(4-hydroxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
CID 5396492
(5E)-5-[(4-hydroxyphenyl)methylidene]-1-methyl-1,3-diazinane-2,4,6-trione
CID 5291810
(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,3-dimethyl(213C)imidazol-4-one
CID 101181572

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one?
The IUPAC name of 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one (CID 59696096) is 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one is O=C1C(=Cc2ccc(O)cc2)N1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one?
The InChIKey is NWRDZHSOWCQRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-6-5-12-10(11(12)15)7-8-1-3-9(14)4-2-8/h1-4,7,13-14H,5-6H2.
What are the key properties of 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one?
1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one has a molecular weight of 205.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[(4-hydroxyphenyl)methylidene]aziridin-2-one is sourced from PubChem (CID 59696096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).