Basic information
- CAS
50585-35-8- Standard SMILES
CC1=CC(=C(C)NC(=O)OC(C)(C)C)c2ccccc21- InChIKey
DSZJMWYUAUJBOX-UHFFFAOYSA-N- Molecular formula
- C17H21NO2
- Average molar mass
- 271.35 g/mol
- Monoisotopic mass
- 271.15722891
Names & identifiers
- Preferred name
- Agn-PC-0jsoi6
- IUPAC
- tert-butyl N-[1-(3-methylinden-1-ylidene)ethyl]carbamate
- English name
- N-[1-(3-Methyl-1H-inden-1-ylidene)ethyl]carbamic acid tert-butyl ester
- Molecular formula
- C17H21NO2
- Molecular weight
- 271.35
Names & synonyms
50585-35-8AGN-PC-0JSOI6DTXSID70338120DB-266007tert-Butyl [1-(3-methyl-1H-inden-1-ylidene)ethyl]carbamateN-[1-(3-methyl-1H-inden-1-ylidene)ethyl ]carbamic acid tert-butyl esterN-[1-(3-Methyl-1H-inden-1-ylidene)ethyl]carbamic acid tert-butyl esterCarbamic acid, [1-(3-methyl-1H-inden-1-ylidene)ethyl]-, 1,1-dimethylethyl ester (9CI)
Database identifiers
- CAS
50585-35-8- PubChem CID
- 546643
- DTXSID
DTXSID70338120
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…