(3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one

C12H9N3O2 — CID 11195503

IUPAC(3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(O)cc2/C1=C/c1cnc[nH]1
InChIInChI=1S/C12H9N3O2/c16-8-1-2-11-9(4-8)10(12(17)15-11)3-7-5-13-6-14-7/h1-6,16H,(H,13,14)(H,15,17)/b10-3-
InChIKeyPMAZYHVHQKJMMF-KMKOMSMNSA-N
MW227.22 g/mol
LogP1.61
Rot. Bonds1

About (3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one

(3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one (PubChem CID 11195503) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is (3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
PubChem CID11195503
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name(3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2ccc(O)cc2/C1=C/c1cnc[nH]1
InChIInChI=1S/C12H9N3O2/c16-8-1-2-11-9(4-8)10(12(17)15-11)3-7-5-13-6-14-7/h1-6,16H,(H,13,14)(H,15,17)/b10-3-
InChIKeyPMAZYHVHQKJMMF-KMKOMSMNSA-N
XLogP1.61
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one (CID 11195503) is (3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one is O=C1Nc2ccc(O)cc2/C1=C/c1cnc[nH]1.
What is the InChIKey of (3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
The InChIKey is PMAZYHVHQKJMMF-KMKOMSMNSA-N. The full InChI is InChI=1S/C12H9N3O2/c16-8-1-2-11-9(4-8)10(12(17)15-11)3-7-5-13-6-14-7/h1-6,16H,(H,13,14)(H,15,17)/b10-3-.
What are the key properties of (3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one?
(3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one has a molecular weight of 227.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-hydroxy-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 11195503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).