[5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate

C21H15NO4 — CID 46916911

IUPAC[5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(COC(=O)c2ccccc2)o1
InChIInChI=1S/C21H15NO4/c23-20-18(17-8-4-5-9-19(17)22-20)12-15-10-11-16(26-15)13-25-21(24)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)/b18-12-
InChIKeyAYOYHEZNBGEBBJ-PDGQHHTCSA-N
MW345.35 g/mol
LogP4.13
Rot. Bonds4

About [5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate

[5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate (PubChem CID 46916911) has the molecular formula C21H15NO4 and a molecular weight of 345.35 g/mol. Its IUPAC name is [5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate.

Molecular Properties

Compound Name[5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate
PubChem CID46916911
Molecular FormulaC21H15NO4
Molecular Weight345.35 g/mol
Exact Mass345.10
IUPAC Name[5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(COC(=O)c2ccccc2)o1
InChIInChI=1S/C21H15NO4/c23-20-18(17-8-4-5-9-19(17)22-20)12-15-10-11-16(26-15)13-25-21(24)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)/b18-12-
InChIKeyAYOYHEZNBGEBBJ-PDGQHHTCSA-N
XLogP4.13
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate with MolForge

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Related Compounds

methyl 4-[5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 6532942
methyl 4-[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 4963846
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
benzyl 2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indole-5-carboxylate
CID 57055183
(3Z)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 124672233
N-(2-cyanoethyl)-N-[[5-[(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl]methanesulfonamide
CID 3992138
methyl 3-[4-methyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]benzoate
CID 66772507
ethyl 4-[4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-3-yl]benzoate
CID 135449526
ethyl 4-[5-[(E)-[2-oxo-6-(trifluoromethyl)-1H-indol-3-ylidene]methyl]furan-2-yl]benzoate
CID 21374061
3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858

Frequently Asked Questions

What is the IUPAC name of [5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate?
The IUPAC name of [5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate (CID 46916911) is [5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate.
What is the SMILES notation for [5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate?
The canonical SMILES for [5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate is O=C1Nc2ccccc2/C1=C/c1ccc(COC(=O)c2ccccc2)o1.
What is the InChIKey of [5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate?
The InChIKey is AYOYHEZNBGEBBJ-PDGQHHTCSA-N. The full InChI is InChI=1S/C21H15NO4/c23-20-18(17-8-4-5-9-19(17)22-20)12-15-10-11-16(26-15)13-25-21(24)14-6-2-1-3-7-14/h1-12H,13H2,(H,22,23)/b18-12-.
What are the key properties of [5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate?
[5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate has a molecular weight of 345.35 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]furan-2-yl]methyl benzoate is sourced from PubChem (CID 46916911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).