(3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one

C18H17NO3 — CID 126124105

IUPAC(3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(/C=C2\C(=O)Nc3ccccc32)c(OC)c1C
InChIInChI=1S/C18H17NO3/c1-11-16(21-2)9-8-12(17(11)22-3)10-14-13-6-4-5-7-15(13)19-18(14)20/h4-10H,1-3H3,(H,19,20)/b14-10-
InChIKeyPEZNZRMVJWQMRO-UVTDQMKNSA-N
MW295.34 g/mol
LogP3.50
Rot. Bonds3

About (3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one

(3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one (PubChem CID 126124105) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one
PubChem CID126124105
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc(/C=C2\C(=O)Nc3ccccc32)c(OC)c1C
InChIInChI=1S/C18H17NO3/c1-11-16(21-2)9-8-12(17(11)22-3)10-14-13-6-4-5-7-15(13)19-18(14)20/h4-10H,1-3H3,(H,19,20)/b14-10-
InChIKeyPEZNZRMVJWQMRO-UVTDQMKNSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(2,5-dimethoxy-4-methylphenyl)methylidene]-1H-indol-2-one
CID 112979013
(3Z)-3-[(3-methoxy-2-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 1224641
(3Z)-3-[(3,4-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 727477
5-[(2,4-dimethoxy-3-methylphenyl)methylidene]imidazolidine-2,4-dione
CID 2912531
3-[(4,5-dimethoxy-2-thiophen-2-ylphenyl)methylidene]-1H-indol-2-one
CID 54352801
5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2299862
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 3486422
3-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1H-indol-2-one
CID 4569267
3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
1-(2,3-dichlorophenyl)-5-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2939299
(3E)-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 2357044

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one (CID 126124105) is (3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one is COc1ccc(/C=C2\C(=O)Nc3ccccc32)c(OC)c1C.
What is the InChIKey of (3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one?
The InChIKey is PEZNZRMVJWQMRO-UVTDQMKNSA-N. The full InChI is InChI=1S/C18H17NO3/c1-11-16(21-2)9-8-12(17(11)22-3)10-14-13-6-4-5-7-15(13)19-18(14)20/h4-10H,1-3H3,(H,19,20)/b14-10-.
What are the key properties of (3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one has a molecular weight of 295.34 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2,4-dimethoxy-3-methylphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 126124105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).