N-(2,4-Dioxopentan-3-yl)acetamide
Basic information
- CAS
5440-23-3- Standard SMILES
CC(=O)NC(C(C)=O)C(C)=O- InChIKey
BIEMZNVEFSZYKS-UHFFFAOYSA-N- Molecular formula
- C7H11NO3
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.07389321
Names & identifiers
- Preferred name
- N-(2,4-Dioxopentan-3-yl)acetamide
- IUPAC
- N-(2,4-dioxopentan-3-yl)acetamide
- English name
- N-(1-Acetyl-2-Oxopropyl) Acetamide
- Molecular formula
- C7H11NO3
- Molecular weight
- 157.17
Names & synonyms
n-(2,4-dioxopentan-3-yl)acetamide5440-23-3DTXSID90281104RefChem:360172DTXCID50232258N-(1-ACETYL-2-OXOPROPYL) ACETAMIDEn-(1-acetyl-2-oxopropyl)acetamideNSC20134SCHEMBL6967366NSC-20134DB-050054NSC 20134
Show more names
N-(1-acetylacetonyl)acetamideN-(2,4-dioxopentan-3-yl)ethanamideN-(1-acetyl-2-keto-propyl)acetamideAcetamide, N-(1-acetyl-2-oxopropyl)-
Database identifiers
- CAS
5440-23-3- PubChem CID
- 227933
- DTXSID
DTXSID90281104
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 93 · 93-94 °C
- Boiling point
- 330.6 · 330.6±32.0 °C(Predicted)
- Density
- 1.086 · 1.086
- pka
- 9.63 · 9.63±0.59(Predicted)
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Compound notes
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