(3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one

C15H10BrNO2 — CID 6063613

IUPAC(3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H10BrNO2/c16-10-5-6-14(18)9(7-10)8-12-11-3-1-2-4-13(11)17-15(12)19/h1-8,18H,(H,17,19)/b12-8-
InChIKeyIOAHGVOWQFADBU-WQLSENKSSA-N
MW316.15 g/mol
LogP3.65
Rot. Bonds1

About (3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one

(3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one (PubChem CID 6063613) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is (3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one
PubChem CID6063613
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name(3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1O
InChIInChI=1S/C15H10BrNO2/c16-10-5-6-14(18)9(7-10)8-12-11-3-1-2-4-13(11)17-15(12)19/h1-8,18H,(H,17,19)/b12-8-
InChIKeyIOAHGVOWQFADBU-WQLSENKSSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one (CID 6063613) is (3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1O.
What is the InChIKey of (3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one?
The InChIKey is IOAHGVOWQFADBU-WQLSENKSSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-10-5-6-14(18)9(7-10)8-12-11-3-1-2-4-13(11)17-15(12)19/h1-8,18H,(H,17,19)/b12-8-.
What are the key properties of (3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one has a molecular weight of 316.15 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-bromo-2-hydroxyphenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 6063613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).