4-[2-(4-Oxopent-2-en-2-ylamino)propylamino]pent-3-en-2-one
Basic information
- CAS
2842-24-2- Standard SMILES
CC(=O)C=C(C)NCC(C)NC(C)=CC(C)=O- InChIKey
YNWCJGDKZCSJOM-UHFFFAOYSA-N- Molecular formula
- C13H22N2O2
- Average molar mass
- 238.33 g/mol
- Monoisotopic mass
- 238.16812795
Names & identifiers
- Preferred name
- 4-[2-(4-Oxopent-2-en-2-ylamino)propylamino]pent-3-en-2-one
- IUPAC
- 4-[2-(4-oxopent-2-en-2-ylamino)propylamino]pent-3-en-2-one
Names & synonyms
2842-24-2(E)-4-[2-[[(E)-4-oxopent-2-en-2-yl]amino]propylamino]pent-3-en-2-oneSCHEMBL11589399SCHEMBL11589403DTXSID503038564,4'-(Propane-1,2-diyldiazanediyl)di(pent-3-en-2-one)4,4'-[Propane-1,2-diylbis(azanediyl)]di(pent-3-en-2-one)
Database identifiers
- CAS
2842-24-2- PubChem CID
- 294448
- DTXSID
DTXSID50303856
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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