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

C15H10BrNO — CID 47102912

IUPAC(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1ccccc1Br
InChIInChI=1S/C15H10BrNO/c16-13-7-3-1-5-10(13)9-12-11-6-2-4-8-14(11)17-15(12)18/h1-9H,(H,17,18)/b12-9+
InChIKeyILCRIBUPPLMANC-FMIVXFBMSA-N
MW300.16 g/mol
LogP3.94
Rot. Bonds1

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

(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one (PubChem CID 47102912) has the molecular formula C15H10BrNO and a molecular weight of 300.16 g/mol. Its IUPAC name is (3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
PubChem CID47102912
Molecular FormulaC15H10BrNO
Molecular Weight300.16 g/mol
Exact Mass298.99
IUPAC Name(3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2/C1=C\c1ccccc1Br
InChIInChI=1S/C15H10BrNO/c16-13-7-3-1-5-10(13)9-12-11-6-2-4-8-14(11)17-15(12)18/h1-9H,(H,17,18)/b12-9+
InChIKeyILCRIBUPPLMANC-FMIVXFBMSA-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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Related Compounds

3-(azulen-1-ylmethylidene)-1H-indol-2-one
CID 57390079
3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
CID 75299455
N-hydroxy-2-[(2-oxo-1H-indol-3-ylidene)methyl]benzeneamine oxide
CID 163155804
(3E)-3-[(2-bromophenyl)methylidene]-6-chloro-5-nitro-1H-indol-2-one
CID 43068024
3-(1H-indol-4-ylmethylidene)-1H-indol-2-one
CID 69453304
(3Z)-3-[(5-bromo-1H-indol-3-yl)methylidene]-1H-indol-2-one
CID 2356796
(3Z)-3-[(4-bromothiophen-2-yl)methylidene]-1H-indol-2-one
CID 6036100
CID 57369962
CID 57369962
3-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1H-indol-2-one
CID 4569267
(5E)-5-[(2-bromophenyl)methylidene]imidazolidine-2,4-dione
CID 807692
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3Z)-5-bromo-3-[(2-chlorophenyl)methylidene]-1H-indol-2-one
CID 46504697

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one?
The IUPAC name of (3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one (CID 47102912) is (3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one is O=C1Nc2ccccc2/C1=C\c1ccccc1Br.
What is the InChIKey of (3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one?
The InChIKey is ILCRIBUPPLMANC-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H10BrNO/c16-13-7-3-1-5-10(13)9-12-11-6-2-4-8-14(11)17-15(12)18/h1-9H,(H,17,18)/b12-9+.
What are the key properties of (3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one?
(3E)-3-[(2-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 (3E)-3-[(2-bromophenyl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 47102912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).