(3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one

C15H10BrNO — CID 964113

IUPAC(3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(Br)cc1
InChIInChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-
InChIKeyINAOSTJXLBNFMV-LCYFTJDESA-N
MW300.16 g/mol
LogP3.94
Rot. Bonds1

About (3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one

(3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one (PubChem CID 964113) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is (3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one
PubChem CID964113
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name(3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C/c1ccc(Br)cc1
InChIInChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-
InChIKeyINAOSTJXLBNFMV-LCYFTJDESA-N
XLogP3.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[(4-bromophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one (CID 964113) is (3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C/c1ccc(Br)cc1.
What is the InChIKey of (3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one?
The InChIKey is INAOSTJXLBNFMV-LCYFTJDESA-N. The full InChI is InChI=1S/C15H10BrNO/c16-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)17-15(13)18/h1-9H,(H,17,18)/b13-9-.
What are the key properties of (3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one?
(3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one has a molecular weight of 300.16 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(4-bromophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 964113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).