N-(3-isocyanatopropyl)-2-propenamide
Basic information
- CAS
953028-96-1- Standard SMILES
C=CC(=O)NCCCN=C=O- InChIKey
YXDSGYHXRHHOSD-UHFFFAOYSA-N- Molecular formula
- C7H10N2O2
- Average molar mass
- 154.17 g/mol
- Monoisotopic mass
- 154.07422757
Names & identifiers
- Preferred name
- N-(3-isocyanatopropyl)-2-propenamide
- IUPAC
- N-(3-isocyanatopropyl)prop-2-enamide
Names & synonyms
N-(3-isocyanatopropyl)-2-propenamideSCHEMBL33492DTXSID601291286N-(3-isocyanatopropyl)prop-2-enamide953028-96-1
Database identifiers
- CAS
953028-96-1- PubChem CID
- 22166302
- DTXSID
DTXSID601291286
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
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Compound notes
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