(3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one

C20H16BrNO2 — CID 10339846

IUPAC(3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one
SMILESCC/C(=C\c1ccccc1)C(=O)/C=C1/C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C20H16BrNO2/c1-2-14(10-13-6-4-3-5-7-13)19(23)12-17-16-11-15(21)8-9-18(16)22-20(17)24/h3-12H,2H2,1H3,(H,22,24)/b14-10+,17-12+
InChIKeyMJFQUAQPUBZSNB-KHCABHTPSA-N
MW382.26 g/mol
LogP4.85
Rot. Bonds4

About (3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one

(3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one (PubChem CID 10339846) has the molecular formula C20H16BrNO2 and a molecular weight of 382.26 g/mol. Its IUPAC name is (3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one
PubChem CID10339846
Molecular FormulaC20H16BrNO2
Molecular Weight382.26 g/mol
Exact Mass381.04
IUPAC Name(3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one
SMILESCC/C(=C\c1ccccc1)C(=O)/C=C1/C(=O)Nc2ccc(Br)cc21
InChIInChI=1S/C20H16BrNO2/c1-2-14(10-13-6-4-3-5-7-13)19(23)12-17-16-11-15(21)8-9-18(16)22-20(17)24/h3-12H,2H2,1H3,(H,22,24)/b14-10+,17-12+
InChIKeyMJFQUAQPUBZSNB-KHCABHTPSA-N
XLogP4.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E)-3-[(E)-3-methyl-2-oxo-4-phenylbut-3-enylidene]-1H-indol-2-one
CID 10446890
(3Z)-5-bromo-3-[(3-propylphenyl)methylidene]-1H-indol-2-one
CID 59079662
(3E)-5-bromo-3-[(4-ethylphenyl)methylidene]-1H-indol-2-one
CID 756584
5-bromo-3-[(3-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 4569324
(3Z)-5-bromo-3-[(4-methylphenyl)methylidene]-1H-indol-2-one
CID 6923929
5-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylic acid
CID 68791663
2-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 3398441
(3Z)-5-bromo-3-[(3-methyl-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 22500294
5-bromo-3-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 5079357
(3Z)-5-bromo-3-[(2-chlorophenyl)methylidene]-1H-indol-2-one
CID 46504697
5-bromo-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 5147801
(3Z)-5-bromo-3-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1H-indol-2-one
CID 1020391

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one?
The IUPAC name of (3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one (CID 10339846) is (3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one?
The canonical SMILES for (3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one is CC/C(=C\c1ccccc1)C(=O)/C=C1/C(=O)Nc2ccc(Br)cc21.
What is the InChIKey of (3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one?
The InChIKey is MJFQUAQPUBZSNB-KHCABHTPSA-N. The full InChI is InChI=1S/C20H16BrNO2/c1-2-14(10-13-6-4-3-5-7-13)19(23)12-17-16-11-15(21)8-9-18(16)22-20(17)24/h3-12H,2H2,1H3,(H,22,24)/b14-10+,17-12+.
What are the key properties of (3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one?
(3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one has a molecular weight of 382.26 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(3E)-3-benzylidene-2-oxopentylidene]-5-bromo-1H-indol-2-one is sourced from PubChem (CID 10339846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).