(3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one

C19H19NO5 — CID 11544661

IUPAC(3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H19NO5/c1-22-12-5-6-13-14(19(21)20-15(13)10-12)7-11-8-16(23-2)18(25-4)17(9-11)24-3/h5-10H,1-4H3,(H,20,21)/b14-7+
InChIKeyYLUHXAHNPQALMQ-VGOFMYFVSA-N
MW341.36 g/mol
LogP3.21
Rot. Bonds5

About (3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one

(3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 11544661) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
PubChem CID11544661
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)/C2=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H19NO5/c1-22-12-5-6-13-14(19(21)20-15(13)10-12)7-11-8-16(23-2)18(25-4)17(9-11)24-3/h5-10H,1-4H3,(H,20,21)/b14-7+
InChIKeyYLUHXAHNPQALMQ-VGOFMYFVSA-N
XLogP3.21
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one (CID 11544661) is (3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one is COc1ccc2c(c1)NC(=O)/C2=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is YLUHXAHNPQALMQ-VGOFMYFVSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-12-5-6-13-14(19(21)20-15(13)10-12)7-11-8-16(23-2)18(25-4)17(9-11)24-3/h5-10H,1-4H3,(H,20,21)/b14-7+.
What are the key properties of (3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one?
(3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 341.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 11544661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).