6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one

C11H10BrNO3 — CID 76651421

IUPAC6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one
SMILESCOCOC=C1C(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C11H10BrNO3/c1-15-6-16-5-9-8-3-2-7(12)4-10(8)13-11(9)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyDEMLOPIXQGDPER-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.36
Rot. Bonds3

About 6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one

6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one (PubChem CID 76651421) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one
PubChem CID76651421
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one
SMILESCOCOC=C1C(=O)Nc2cc(Br)ccc21
InChIInChI=1S/C11H10BrNO3/c1-15-6-16-5-9-8-3-2-7(12)4-10(8)13-11(9)14/h2-5H,6H2,1H3,(H,13,14)
InChIKeyDEMLOPIXQGDPER-UHFFFAOYSA-N
XLogP2.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-bromo-3-(methoxymethoxymethylidene)-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

3-[(3-bromophenyl)methylidene]-6-methoxy-1H-indol-2-one
CID 71237885
3-[(5-bromo-2-methoxyphenyl)methylidene]-6-chloro-1H-indol-2-one
CID 5012571
6-bromo-3-(selenophen-2-ylmethylidene)-1H-indol-2-one
CID 74943437
6-bromo-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 85115768
3-[5-[(6-bromo-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid;dimethyl propanedioate
CID 160996621
9-bromo-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
CID 22156739
(3E)-6-bromo-3-[(3-chloro-2-fluorophenyl)methylidene]-1H-indol-2-one
CID 58286328
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
5-[(Z)-(6-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 162664768
5-bromo-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 5147801
(3Z)-5-bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one
CID 6075235

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one?
The IUPAC name of 6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one (CID 76651421) is 6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one.
What is the SMILES notation for 6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one?
The canonical SMILES for 6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one is COCOC=C1C(=O)Nc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one?
The InChIKey is DEMLOPIXQGDPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-15-6-16-5-9-8-3-2-7(12)4-10(8)13-11(9)14/h2-5H,6H2,1H3,(H,13,14).
What are the key properties of 6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one?
6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one has a molecular weight of 284.11 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(methoxymethoxymethylidene)-1H-indol-2-one is sourced from PubChem (CID 76651421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).