4-[Di(prop-2-en-1-yl)amino]-4-oxobut-2-enoic acid
Basic information
- CAS
28446-55-1- Standard SMILES
C=CCN(CC=C)C(=O)C=CC(=O)O- InChIKey
YYJMGOUKOXZJPD-UHFFFAOYSA-N- Molecular formula
- C10H13NO3
- Average molar mass
- 195.21 g/mol
- Monoisotopic mass
- 195.08954328
Names & identifiers
- Preferred name
- 4-[Di(prop-2-en-1-yl)amino]-4-oxobut-2-enoic acid
- IUPAC
- 4-[bis(prop-2-enyl)amino]-4-oxobut-2-enoic acid
Names & synonyms
28446-55-14-[Di(prop-2-en-1-yl)amino]-4-oxobut-2-enoic acidSCHEMBL5614150DTXSID90712024
Database identifiers
- CAS
28446-55-1- PubChem CID
- 54533780
- DTXSID
DTXSID90712024
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
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Related reactions
2 records
Compound notes
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