3-Ethyl-3-buten-2-one semicarbazone
Basic information
- CAS
5648-02-2- Standard SMILES
C=C(CC)C(C)=NNC(N)=O- InChIKey
HCYVCCYHCJDOLJ-UHFFFAOYSA-N- Molecular formula
- C7H13N3O
- Average molar mass
- 155.2 g/mol
- Monoisotopic mass
- 155.10586205
Names & identifiers
- Preferred name
- 3-Ethyl-3-buten-2-one semicarbazone
- IUPAC
- (3-methylidenepentan-2-ylideneamino)urea
- English name
- 3-Ethyl-3-buten-2-one semicarbazone
- Molecular formula
- C7H13N3O
- Molecular weight
- 155.2
Names & synonyms
3-Ethyl-3-buten-2-one semicarbazone5648-02-2DTXSID60341567RefChem:279166DTXCID802926482-(3-Methylidenepentan-2-ylidene)hydrazine-1-carboxamideHydrazinecarboxamide, 2-(1-methyl-2-methylenebutylidene)-
Database identifiers
- CAS
5648-02-2- PubChem CID
- 574044
- DTXSID
DTXSID60341567
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 167 °C · 167 °C
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- pka
- 11.65 · 11.65±0.46(Predicted)
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Compound notes
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