methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate

C19H15NO5 — CID 167424643

IUPACmethyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate
SMILESCOC(=O)c1cccc2c1/C(=C/c1ccc(O)cc1)C(=O)N2C(C)=O
InChIInChI=1S/C19H15NO5/c1-11(21)20-16-5-3-4-14(19(24)25-2)17(16)15(18(20)23)10-12-6-8-13(22)9-7-12/h3-10,22H,1-2H3/b15-10-
InChIKeyZOBYKBWYTMQDEQ-GDNBJRDFSA-N
MW337.33 g/mol
LogP2.61
Rot. Bonds2

About methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate

methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate (PubChem CID 167424643) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate.

Molecular Properties

Compound Namemethyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate
PubChem CID167424643
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Namemethyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate
SMILESCOC(=O)c1cccc2c1/C(=C/c1ccc(O)cc1)C(=O)N2C(C)=O
InChIInChI=1S/C19H15NO5/c1-11(21)20-16-5-3-4-14(19(24)25-2)17(16)15(18(20)23)10-12-6-8-13(22)9-7-12/h3-10,22H,1-2H3/b15-10-
InChIKeyZOBYKBWYTMQDEQ-GDNBJRDFSA-N
XLogP2.61
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-1-acetyl-3-[(4-chlorophenyl)methylidene]indol-2-one
CID 135073524
methyl (4Z)-1-(3,5-dichlorophenyl)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 126024864
methyl 1-acetyl-3-(2-methoxycarbonylphenyl)azirine-2-carboxylate
CID 123717412
methyl 2-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoate
CID 18841223
(3E)-1-acetyl-3-[[3-(trifluoromethyl)phenyl]methylidene]indol-2-one
CID 163207071
methyl (4Z)-1-(3,4-dichlorophenyl)-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 126002629
methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 2270378
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl (4E)-1-(2-chlorophenyl)-2-methyl-4-[(4-methylphenyl)methylidene]-5-oxopyrrole-3-carboxylate
CID 1311356
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
dimethyl 2-phenothiazin-10-ylbenzene-1,3-dicarboxylate
CID 169083583
methyl 2-hydroxy-3-[(Z)-pent-2-en-2-yl]benzoate
CID 143966342

Frequently Asked Questions

What is the IUPAC name of methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate?
The IUPAC name of methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate (CID 167424643) is methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate.
What is the SMILES notation for methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate?
The canonical SMILES for methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate is COC(=O)c1cccc2c1/C(=C/c1ccc(O)cc1)C(=O)N2C(C)=O.
What is the InChIKey of methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate?
The InChIKey is ZOBYKBWYTMQDEQ-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H15NO5/c1-11(21)20-16-5-3-4-14(19(24)25-2)17(16)15(18(20)23)10-12-6-8-13(22)9-7-12/h3-10,22H,1-2H3/b15-10-.
What are the key properties of methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate?
methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate has a molecular weight of 337.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z)-1-acetyl-3-[(4-hydroxyphenyl)methylidene]-2-oxoindole-4-carboxylate is sourced from PubChem (CID 167424643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).