5-(4-ethoxyphenyl)iminofuran-2-one

C12H11NO3 — CID 86113830

IUPAC5-(4-ethoxyphenyl)iminofuran-2-one
SMILESCCOc1ccc(/N=C2\C=CC(=O)O2)cc1
InChIInChI=1S/C12H11NO3/c1-2-15-10-5-3-9(4-6-10)13-11-7-8-12(14)16-11/h3-8H,2H2,1H3/b13-11+
InChIKeyCLGLEVGSPUTCDK-ACCUITESSA-N
MW217.22 g/mol
LogP2.23
Rot. Bonds3

About 5-(4-ethoxyphenyl)iminofuran-2-one

5-(4-ethoxyphenyl)iminofuran-2-one (PubChem CID 86113830) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)iminofuran-2-one.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)iminofuran-2-one
PubChem CID86113830
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-(4-ethoxyphenyl)iminofuran-2-one
SMILESCCOc1ccc(/N=C2\C=CC(=O)O2)cc1
InChIInChI=1S/C12H11NO3/c1-2-15-10-5-3-9(4-6-10)13-11-7-8-12(14)16-11/h3-8H,2H2,1H3/b13-11+
InChIKeyCLGLEVGSPUTCDK-ACCUITESSA-N
XLogP2.23
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-ethoxyphenyl)cyclohexa-2,5-diene-1,4-diimine
CID 15123516
3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135502764
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
4-diazo-N-(4-ethoxyphenyl)cyclohex-2-en-1-imine
CID 56999714
5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135460924
1-(2,2-dimethylpropoxy)-4-ethoxybenzene
CID 170603637
(4-ethoxyphenyl)-oxosulfanium
CID 174263309
2-(4-ethoxyphenyl)-1,1,3,3-tetramethylguanidine
CID 525247
disodium;5-[(4-ethoxyphenyl)diazenyl]-2-[2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfonatophenyl]ethyl]benzenesulfonate
CID 24857288
(5Z)-5-[(2,5-dimethylfuran-3-yl)methylidene]-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135563308
5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559696
5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)iminofuran-2-one?
The IUPAC name of 5-(4-ethoxyphenyl)iminofuran-2-one (CID 86113830) is 5-(4-ethoxyphenyl)iminofuran-2-one.
What is the SMILES notation for 5-(4-ethoxyphenyl)iminofuran-2-one?
The canonical SMILES for 5-(4-ethoxyphenyl)iminofuran-2-one is CCOc1ccc(/N=C2\C=CC(=O)O2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)iminofuran-2-one?
The InChIKey is CLGLEVGSPUTCDK-ACCUITESSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-15-10-5-3-9(4-6-10)13-11-7-8-12(14)16-11/h3-8H,2H2,1H3/b13-11+.
What are the key properties of 5-(4-ethoxyphenyl)iminofuran-2-one?
5-(4-ethoxyphenyl)iminofuran-2-one has a molecular weight of 217.22 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)iminofuran-2-one is sourced from PubChem (CID 86113830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).