Basic information
- CAS
28537-77-1- Standard SMILES
O=C1C=CC(=NCCCCCN=C2C=CC(=O)O2)O1- InChIKey
OCDXBXTUSDXPMD-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- 5-[5-[(5-Oxofuran-2-ylidene)amino]pentylimino]furan-2-one
- IUPAC
- 5-[5-[(5-oxofuran-2-ylidene)amino]pentylimino]furan-2-one
- English name
- N,N'-Bis[(5Z)-2,5-dihydro-2-oxofuran-5-ylidene]-1,5-pentanediamine
- Molecular formula
- C13H14N2O4
- Molecular weight
- 262.26
Names & synonyms
5-[5-[(5-oxofuran-2-ylidene)amino]pentylimino]furan-2-one28537-77-1Crotonic acid, 4,4'-(pentamethylenedinitrilo)bis[4-hydroxy-, cyclic 1,4:1',4'-dianhydride, (Z)-DTXSID00339786OCDXBXTUSDXPMD-WFYKWJGLSA-N(5E)-5-[((E)-5-([(2E)-5-Oxofuranylidene]amino)pentyl)imino]-2(5H)-furanone #(5Z)-5-({5-[(E)-(5-Oxofuran-2(5H)-ylidene)amino]pentyl}imino)furan-2(5H)-oneCrotonic acid, 4,4'-(pentamethylenedinitrilo)bis*4-hydroxy-, cyclic 1,4:1',4'-dianhydride, (Z)-N,N'-Bis[(5Z)-2,5-dihydro-2-oxofuran-5-ylidene]-1,5-pentanediamine
Database identifiers
- CAS
28537-77-1- PubChem CID
- 558708
- DTXSID
DTXSID00339786- Nikkaji
- J104.999B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Boiling point
- 404.262 · 404.262±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.299 · 1.299±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.922 · 2.922±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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