3-(4-ethoxyphenyl)imino-1H-indol-2-one

C16H14N2O2 — CID 135502764

IUPAC3-(4-ethoxyphenyl)imino-1H-indol-2-one
SMILESCCOc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-2-20-12-9-7-11(8-10-12)17-15-13-5-3-4-6-14(13)18-16(15)19/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyJXLWOPLJPFUKKH-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.16
Rot. Bonds3

About 3-(4-ethoxyphenyl)imino-1H-indol-2-one

3-(4-ethoxyphenyl)imino-1H-indol-2-one (PubChem CID 135502764) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)imino-1H-indol-2-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)imino-1H-indol-2-one
PubChem CID135502764
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(4-ethoxyphenyl)imino-1H-indol-2-one
SMILESCCOc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H14N2O2/c1-2-20-12-9-7-11(8-10-12)17-15-13-5-3-4-6-14(13)18-16(15)19/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyJXLWOPLJPFUKKH-UHFFFAOYSA-N
XLogP3.16
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(4-ethoxyphenyl)imino-1H-indol-2-one
CID 135460924
3-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]imino-1H-indol-2-one
CID 135423248
(3Z)-3-[(4-ethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135823201
3-(4-iodophenyl)imino-1H-indol-2-one
CID 135411934
5-bromo-3-(4-ethoxyphenyl)imino-7-methyl-1H-indol-2-one
CID 135559696
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
2-[(Z)-(5-ethoxy-2-oxo-1H-indol-3-ylidene)amino]isoindole-1,3-dione
CID 135455158
4-[(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-N-(4-ethoxyphenyl)benzamide
CID 135832490
3-[2-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]imino-1H-indol-2-one
CID 135406079
1-[4-[(2-oxo-1H-indol-3-ylidene)amino]phenyl]-3-phenylurea
CID 135995901
5-benzylidene-2-(4-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135486653
3-[4-[4-[4-[(2-oxo-1H-indol-3-ylidene)amino]benzoyl]piperazine-1-carbonyl]phenyl]imino-1H-indol-2-one
CID 137144313

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)imino-1H-indol-2-one?
The IUPAC name of 3-(4-ethoxyphenyl)imino-1H-indol-2-one (CID 135502764) is 3-(4-ethoxyphenyl)imino-1H-indol-2-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)imino-1H-indol-2-one?
The canonical SMILES for 3-(4-ethoxyphenyl)imino-1H-indol-2-one is CCOc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)imino-1H-indol-2-one?
The InChIKey is JXLWOPLJPFUKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-20-12-9-7-11(8-10-12)17-15-13-5-3-4-6-14(13)18-16(15)19/h3-10H,2H2,1H3,(H,17,18,19).
What are the key properties of 3-(4-ethoxyphenyl)imino-1H-indol-2-one?
3-(4-ethoxyphenyl)imino-1H-indol-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)imino-1H-indol-2-one is sourced from PubChem (CID 135502764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).