(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one

C19H19NO4 — CID 92962049

IUPAC(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2/C(=O)Nc3ccc(C)cc32)cc(OC)c1OC
InChIInChI=1S/C19H19NO4/c1-11-5-6-15-13(7-11)14(19(21)20-15)8-12-9-16(22-2)18(24-4)17(10-12)23-3/h5-10H,1-4H3,(H,20,21)/b14-8+
InChIKeyWEHNKIWKAGIDIS-RIYZIHGNSA-N
MW325.36 g/mol
LogP3.51
Rot. Bonds4

About (3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one

(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 92962049) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is (3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID92962049
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1cc(/C=C2/C(=O)Nc3ccc(C)cc32)cc(OC)c1OC
InChIInChI=1S/C19H19NO4/c1-11-5-6-15-13(7-11)14(19(21)20-15)8-12-9-16(22-2)18(24-4)17(10-12)23-3/h5-10H,1-4H3,(H,20,21)/b14-8+
InChIKeyWEHNKIWKAGIDIS-RIYZIHGNSA-N
XLogP3.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 3450009
(3Z)-5-bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 6075235
(3E)-3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-5-methyl-1H-indol-2-one
CID 22500209
CID 177342268
CID 177342268
N-[2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-5-yl]acetamide
CID 155758920
(3E)-3-[(4-fluorophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 92958265
(3Z)-5-(furan-2-ylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 155540289
5-bromo-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-1H-indol-2-one
CID 1228781
(3E)-3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-5-chloro-1H-indol-2-one
CID 6091635
2-oxo-N-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 57294666
(3Z)-3-[[3-methoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-5-methyl-1H-indol-2-one
CID 127052570
(3E)-3-[(3-bromophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 112979057

Frequently Asked Questions

What is the IUPAC name of (3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one (CID 92962049) is (3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one is COc1cc(/C=C2/C(=O)Nc3ccc(C)cc32)cc(OC)c1OC.
What is the InChIKey of (3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is WEHNKIWKAGIDIS-RIYZIHGNSA-N. The full InChI is InChI=1S/C19H19NO4/c1-11-5-6-15-13(7-11)14(19(21)20-15)8-12-9-16(22-2)18(24-4)17(10-12)23-3/h5-10H,1-4H3,(H,20,21)/b14-8+.
What are the key properties of (3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
(3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 325.36 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 92962049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).