(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one

C18H14N2O2 — CID 6516560

IUPAC(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
SMILESCOc1ccc2[nH]cc(/C=C3\C(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C18H14N2O2/c1-22-12-6-7-16-14(9-12)11(10-19-16)8-15-13-4-2-3-5-17(13)20-18(15)21/h2-10,19H,1H3,(H,20,21)/b15-8-
InChIKeyOEJQBEJOXJYPRT-NVNXTCNLSA-N
MW290.32 g/mol
LogP3.67
Rot. Bonds2

About (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one

(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one (PubChem CID 6516560) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
PubChem CID6516560
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one
SMILESCOc1ccc2[nH]cc(/C=C3\C(=O)Nc4ccccc43)c2c1
InChIInChI=1S/C18H14N2O2/c1-22-12-6-7-16-14(9-12)11(10-19-16)8-15-13-4-2-3-5-17(13)20-18(15)21/h2-10,19H,1H3,(H,20,21)/b15-8-
InChIKeyOEJQBEJOXJYPRT-NVNXTCNLSA-N
XLogP3.67
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one (CID 6516560) is (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one is COc1ccc2[nH]cc(/C=C3\C(=O)Nc4ccccc43)c2c1.
What is the InChIKey of (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one?
The InChIKey is OEJQBEJOXJYPRT-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-22-12-6-7-16-14(9-12)11(10-19-16)8-15-13-4-2-3-5-17(13)20-18(15)21/h2-10,19H,1H3,(H,20,21)/b15-8-.
What are the key properties of (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one?
(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one has a molecular weight of 290.32 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 6516560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).