3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one

C16H12BrNO2 — CID 71237885

IUPAC3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)C2=Cc1cccc(Br)c1
InChIInChI=1S/C16H12BrNO2/c1-20-12-5-6-13-14(16(19)18-15(13)9-12)8-10-3-2-4-11(17)7-10/h2-9H,1H3,(H,18,19)
InChIKeyJVZBURKOZDJAJK-UHFFFAOYSA-N
MW330.18 g/mol
LogP3.95
Rot. Bonds2

About 3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one

3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one (PubChem CID 71237885) has the molecular formula C16H12BrNO2 and a molecular weight of 330.18 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one
PubChem CID71237885
Molecular FormulaC16H12BrNO2
Molecular Weight330.18 g/mol
Exact Mass329.01
IUPAC Name3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one
SMILESCOc1ccc2c(c1)NC(=O)C2=Cc1cccc(Br)c1
InChIInChI=1S/C16H12BrNO2/c1-20-12-5-6-13-14(16(19)18-15(13)9-12)8-10-3-2-4-11(17)7-10/h2-9H,1H3,(H,18,19)
InChIKeyJVZBURKOZDJAJK-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.95
H-Bond Donors ≤ 51
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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Related Compounds

3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 3925589
(3Z)-3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 962912
(3E)-5-methoxy-3-[[3-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]phenyl]methylidene]-1H-indol-2-one
CID 46887441
(3Z)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 67357920
(3E)-3-[(3-bromophenyl)methylidene]-5-methyl-1H-indol-2-one
CID 112979057
(3Z)-3-[(4-dimethoxyphosphorylphenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 23398029
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
(5E)-1-(3-bromophenyl)-5-[(3-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1344347
(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-methoxy-1H-indol-2-one
CID 118714393
5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 4569324
3-[(3,5-dibromophenyl)methylidene]-1H-indol-2-one
CID 75299455

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one?
The IUPAC name of 3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one (CID 71237885) is 3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one.
What is the SMILES notation for 3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one?
The canonical SMILES for 3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one is COc1ccc2c(c1)NC(=O)C2=Cc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one?
The InChIKey is JVZBURKOZDJAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO2/c1-20-12-5-6-13-14(16(19)18-15(13)9-12)8-10-3-2-4-11(17)7-10/h2-9H,1H3,(H,18,19).
What are the key properties of 3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one?
3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one has a molecular weight of 330.18 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one is sourced from PubChem (CID 71237885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).