Basic information
- CAS
40642-83-9- Standard SMILES
C=C1C=Nc2ccccc21- InChIKey
BCNUXXXHEIUHJB-UHFFFAOYSA-N- Molecular formula
- C9H7N
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.05784923
Overview
3-methyleneindolenine is an indole that consists of 3H-indole bearing a methylene substituent at position 3. It has a role as a metabolite.
Names & identifiers
- Preferred name
- 3-methylene-3H-indole
- IUPAC
- 3-methylideneindole
- English name
- 3-methyleneindolenine
- Molecular formula
- C9H7N
- Molecular weight
- 129.16
Names & synonyms
3-Methyleneindolenine3-Methylene-3H-indole3-methylideneindole40642-83-93H-Indole, 3-methylene-DTXSID00193643F4W4M3S5Z4CHEBI:63905RefChem:94890DTXCID401161343-Methylene-indolenine3-methylidene-3H-indole
Show more names
3-methyleneindoleSCHEMBL5488008SCHEMBL9580787SCHEMBL29935021Q27132906
Database identifiers
- CAS
40642-83-9- PubChem CID
- 170404
- DTXSID
DTXSID00193643- ChEBI
CHEBI:63905- UNII
- F4W4M3S5Z4
- Nikkaji
- J373.234G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 12.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 260.8 · 260.8±33.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 4.42 · 4.42±0.20(Predicted)
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Additional notes
DefinitionChEBI: An indole that consists of 3H-indole bearing a methylene substituent at position 3.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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