Basic information
- CAS
1976-54-1- Standard SMILES
O=C(C=C(c1ccccc1)c1ccccc1)CN1CCCC1- InChIKey
YRSXLEZACFVLMW-UHFFFAOYSA-N- Molecular formula
- C20H21NO
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.16231429
Names & identifiers
- Preferred name
- 3-Buten-2-one, 4,4-diphenyl-1-(1-pyrrolidinyl)-
- IUPAC
- 4,4-diphenyl-1-pyrrolidin-1-ylbut-3-en-2-one
Names & synonyms
BRN 16852643-BUTEN-2-ONE, 4,4-DIPHENYL-1-(1-PYRROLIDINYL)-4,4-Diphenyl-1-(1-pyrrolidinyl)-3-buten-2-one1976-54-1DTXSID801734435-20-01-00286 (Beilstein Handbook Reference)RefChem:277859DTXCID80959344,4-diphenyl-1-(pyrrolidin-1-yl)but-3-en-2-one
Database identifiers
- CAS
1976-54-1- PubChem CID
- 16101
- DTXSID
DTXSID80173443- Nikkaji
- J593.528H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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