Basic information
- CAS
139760-89-7- Standard SMILES
CCN1CC[C@@]2(C)c3cc(OC(=O)NC(C)(C)C)ccc3C[C@@H]12- InChIKey
CSENCZKLXRJGFD-APWZRJJASA-N- Molecular formula
- C19H28N2O2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.21507814
Names & identifiers
- Preferred name
- Carbamic acid, 1,1-dimethylethyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-
- IUPAC
- [(3aR,8bS)-3-ethyl-8b-methyl-1,2,3a,4-tetrahydroindeno[2,1-b]pyrrol-7-yl] N-tert-butylcarbamate
Names & synonyms
BRN 5449163139760-89-7Carbamic acid, 1,1-dimethylethyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-RefChem:332251CHEMBL1085126DTXSID90930584BDBM50318748(3aS,8aR)-1-Ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hydrogen tert-butylcarbonimidate(3aS,8aR)-1-ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl tert-butylcarbamate1-Ethyl-3a-methyl-1,2,3,3a,8,8a-hexahydroindeno[2,1-b]pyrrol-5-yl hydrogen tert-butylcarbonimidate
Database identifiers
- CAS
139760-89-7- PubChem CID
- 3072018
- DTXSID
DTXSID90930584- ChEMBL
CHEMBL1085126- Nikkaji
- J482.753H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…