Basic information
- CAS
10184-96-0- Standard SMILES
CCOC(=O)C(=Cc1c[nH]c2ccccc12)C(=O)OCC- InChIKey
PFJFOJBUEHKUCE-UHFFFAOYSA-N- Molecular formula
- C16H17NO4
- Average molar mass
- 287.31 g/mol
- Monoisotopic mass
- 287.11575802
Names & identifiers
- Preferred name
- 1,3-Diethyl 2-(1H-indol-3-ylmethylene)propanedioate
- IUPAC
- diethyl 2-(1H-indol-3-ylmethylidene)propanedioate
- English name
- diethyl 2-(1H-indol-3-ylmethylidene)propanedioate
- Molecular formula
- C16H17NO4
- Molecular weight
- 287.31
Names & synonyms
10184-96-0RefChem:2184911,3-Diethyl 2-(1H-indol-3-ylmethylene)propanedioatediethyl 2-(1H-indol-3-ylmethylidene)propanedioateDiethyl 2-((1H-indol-3-yl)methylene)malonateNSC 52507Malonic acid, 2-(3-indolylmethylene)-, diethyl ester(3-Indolylmethylene)malonic acid, diethyl esterSCHEMBL6809806DTXSID90287782PFJFOJBUEHKUCE-UHFFFAOYSA-NNSC52507
Show more names
(3-Indolmethylen)malonsaeure-diethylesterPropanedioic acid, 2-(1H-indol-3-ylmethylene)-, 1,3-diethyl ester
NSC-52507STK553316AKOS005480042NCGC00336780-01Diethyl 2-(1H-indol-3-ylmethylene)malonateST50975781ethyl-alpha-(ethoxycarbonyl)-3-indoleacrylatediethyl (1H-indol-3-ylmethylidene)propanedioate
Database identifiers
- CAS
10184-96-0- PubChem CID
- 243185
- DTXSID
DTXSID90287782
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- Melting point
- 99 · 99-100 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 422.7 · 422.7±30.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 15.59 · 15.59±0.30(Predicted)
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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