2-Isopropylcrotonoylurea
Basic information
- CAS
60364-26-3- Standard SMILES
CC=C(C(=O)NC(N)=O)C(C)C- InChIKey
JWLVVNRQYDFQGA-UHFFFAOYSA-N- Molecular formula
- C8H14N2O2
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.10552769
Names & identifiers
- Preferred name
- 2-Isopropylcrotonoylurea
- IUPAC
- N-carbamoyl-2-propan-2-ylbut-2-enamide
Names & synonyms
2-IsopropylcrotonoylureaNSC-170961ZU7TB72DE4DTXSID901032091UREA, (2-ISOPROPYLCROTONOYL)-DB-298496(2-(PROPAN-2-YL)BUT-2-ENOYL)UREA
Database identifiers
- CAS
60364-26-3- PubChem CID
- 99067
- DTXSID
DTXSID901032091- UNII
- ZU7TB72DE4
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 219
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Compound notes
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