(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one

C18H15NO4 — CID 947880

IUPAC(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
SMILESCOc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1OC
InChIInChI=1S/C18H15NO4/c1-22-16-8-7-11(9-17(16)23-2)15(20)10-13-12-5-3-4-6-14(12)19-18(13)21/h3-10H,1-2H3,(H,19,21)/b13-10-
InChIKeySVEZBECVWLMTGK-RAXLEYEMSA-N
MW309.32 g/mol
LogP2.92
Rot. Bonds4

About (3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one

(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one (PubChem CID 947880) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
PubChem CID947880
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
SMILESCOc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1OC
InChIInChI=1S/C18H15NO4/c1-22-16-8-7-11(9-17(16)23-2)15(20)10-13-12-5-3-4-6-14(12)19-18(13)21/h3-10H,1-2H3,(H,19,21)/b13-10-
InChIKeySVEZBECVWLMTGK-RAXLEYEMSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one
CID 71949569
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
2-[2-methoxy-4-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetamide
CID 964213
3-[2-(3-nitrophenyl)-2-oxoethylidene]-1H-indol-2-one
CID 948057
(3E)-3-[(E)-2-oxo-4-(3,4,5-trimethoxyphenyl)but-3-enylidene]-1H-indol-2-one
CID 118314797
(3Z)-3-[(3Z)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 5378858
(3Z)-3-[(3E)-2-oxo-3-(2-oxo-1H-indol-3-ylidene)propylidene]-1H-indol-2-one
CID 6289582
(3E)-3-[(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enylidene]-1H-indol-2-one
CID 74221213
3-[4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enylidene]-1H-indol-2-one
CID 123982841
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044
(2E)-2-(2-oxo-1H-indol-3-ylidene)acetate
CID 2345191

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one (CID 947880) is (3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one is COc1ccc(C(=O)/C=C2\C(=O)Nc3ccccc32)cc1OC.
What is the InChIKey of (3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one?
The InChIKey is SVEZBECVWLMTGK-RAXLEYEMSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-16-8-7-11(9-17(16)23-2)15(20)10-13-12-5-3-4-6-14(12)19-18(13)21/h3-10H,1-2H3,(H,19,21)/b13-10-.
What are the key properties of (3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one?
(3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one has a molecular weight of 309.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethylidene]-1H-indol-2-one is sourced from PubChem (CID 947880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).