3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one

C20H18N2O2 — CID 3958106

IUPAC3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one
SMILESCOCCn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21
InChIInChI=1S/C20H18N2O2/c1-24-11-10-22-13-14(15-6-3-5-9-19(15)22)12-17-16-7-2-4-8-18(16)21-20(17)23/h2-9,12-13H,10-11H2,1H3,(H,21,23)
InChIKeyROFLDPZHJIYJGN-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.78
Rot. Bonds4

About 3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one

3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one (PubChem CID 3958106) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one
PubChem CID3958106
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one
SMILESCOCCn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21
InChIInChI=1S/C20H18N2O2/c1-24-11-10-22-13-14(15-6-3-5-9-19(15)22)12-17-16-7-2-4-8-18(16)21-20(17)23/h2-9,12-13H,10-11H2,1H3,(H,21,23)
InChIKeyROFLDPZHJIYJGN-UHFFFAOYSA-N
XLogP3.78
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-[[1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 6106896
(3E)-6-chloro-3-[[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 6276779
(3Z)-3-[[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 143304674
(3E)-6-chloro-3-[[1-[2-(4-chlorophenoxy)ethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 21370122
10-[(2R)-2-hydroxy-3-[3-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]propyl]acridin-9-one
CID 155810643
3-[[1-[(3-fluorophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 3276576
1-(2-methoxyethyl)indole-3-carbaldehyde
CID 2194468
1-(2-methoxyethyl)-5-[[1-[2-(2-methoxyphenoxy)ethyl]indol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 91970238
3-[[1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indol-3-yl]methylidene]-1H-indol-2-one
CID 3419928
2-[3-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 21370038
(3E)-3-[[1-[2-(3,4-dimethylphenoxy)ethyl]indol-3-yl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 21374105
(4Z)-1-butyl-4-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-2-methylpyrazolidine-3,5-dione
CID 166973025

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one?
The IUPAC name of 3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one (CID 3958106) is 3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one?
The canonical SMILES for 3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one is COCCn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21.
What is the InChIKey of 3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one?
The InChIKey is ROFLDPZHJIYJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-11-10-22-13-14(15-6-3-5-9-19(15)22)12-17-16-7-2-4-8-18(16)21-20(17)23/h2-9,12-13H,10-11H2,1H3,(H,21,23).
What are the key properties of 3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one?
3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one has a molecular weight of 318.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methoxyethyl)indol-3-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 3958106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).