3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one

C23H20N2O2 — CID 22964180

IUPAC3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one
SMILESCN1C(=O)C(=CC=CC=Cc2c(O)n(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H20N2O2/c1-24-20-14-8-6-10-16(20)18(22(24)26)12-4-3-5-13-19-17-11-7-9-15-21(17)25(2)23(19)27/h3-15,26H,1-2H3
InChIKeyDCAVJOSZYNPSSD-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.51
Rot. Bonds3

About 3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one

3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one (PubChem CID 22964180) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one.

Molecular Properties

Compound Name3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one
PubChem CID22964180
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one
SMILESCN1C(=O)C(=CC=CC=Cc2c(O)n(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H20N2O2/c1-24-20-14-8-6-10-16(20)18(22(24)26)12-4-3-5-13-19-17-11-7-9-15-21(17)25(2)23(19)27/h3-15,26H,1-2H3
InChIKeyDCAVJOSZYNPSSD-UHFFFAOYSA-N
XLogP4.51
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one?
The IUPAC name of 3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one (CID 22964180) is 3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one.
What is the SMILES notation for 3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one?
The canonical SMILES for 3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one is CN1C(=O)C(=CC=CC=Cc2c(O)n(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one?
The InChIKey is DCAVJOSZYNPSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-24-20-14-8-6-10-16(20)18(22(24)26)12-4-3-5-13-19-17-11-7-9-15-21(17)25(2)23(19)27/h3-15,26H,1-2H3.
What are the key properties of 3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one?
3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one has a molecular weight of 356.43 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-hydroxy-1-methylindol-3-yl)penta-2,4-dienylidene]-1-methylindol-2-one is sourced from PubChem (CID 22964180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).