5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one

C13H11N3O2 — CID 135753560

IUPAC5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one
SMILESCn1c(/C=C2\C=Nc3ccccc32)c(O)[nH]c1=O
InChIInChI=1S/C13H11N3O2/c1-16-11(12(17)15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-7,17H,1H3,(H,15,18)/b8-6+
InChIKeyWBCNJJPWUXZXLK-SOFGYWHQSA-N
MW241.25 g/mol
LogP1.68
Rot. Bonds1

About 5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one

5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one (PubChem CID 135753560) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one
PubChem CID135753560
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one
SMILESCn1c(/C=C2\C=Nc3ccccc32)c(O)[nH]c1=O
InChIInChI=1S/C13H11N3O2/c1-16-11(12(17)15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-7,17H,1H3,(H,15,18)/b8-6+
InChIKeyWBCNJJPWUXZXLK-SOFGYWHQSA-N
XLogP1.68
TPSA70.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one?
The IUPAC name of 5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one (CID 135753560) is 5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one.
What is the SMILES notation for 5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one?
The canonical SMILES for 5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one is Cn1c(/C=C2\C=Nc3ccccc32)c(O)[nH]c1=O.
What is the InChIKey of 5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one?
The InChIKey is WBCNJJPWUXZXLK-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-16-11(12(17)15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-7,17H,1H3,(H,15,18)/b8-6+.
What are the key properties of 5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one?
5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one has a molecular weight of 241.25 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[(Z)-indol-3-ylidenemethyl]-3-methyl-1H-imidazol-2-one is sourced from PubChem (CID 135753560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).