Phenylmethyl 2,3-dihydro-1H-indole-1-carboxylate
Basic information
- CAS
132431-12-0- Standard SMILES
O=C(OCc1ccccc1)N1CCc2ccccc21- InChIKey
NWNPYJBRVCYRMG-UHFFFAOYSA-N- Molecular formula
- C16H15NO2
- Average molar mass
- 253.29 g/mol
- Monoisotopic mass
- 253.11027872
Names & identifiers
- Preferred name
- Phenylmethyl 2,3-dihydro-1H-indole-1-carboxylate
- IUPAC
- benzyl 2,3-dihydroindole-1-carboxylate
- English name
- 2,3-Dihydro-indole-1-carboxylic acid benzyl ester
- Molecular formula
- C16H15NO2
- Molecular weight
- 253.3
Names & synonyms
132431-12-0Phenylmethyl 2,3-dihydro-1H-indole-1-carboxylateRefChem:369876benzyl 1-indolinecarboxylatebenzyl 2,3-dihydro-1H-indole-1-carboxylateBenzyl indoline-1-carboxylatebenzyl 2,3-dihydroindole-1-carboxylateMLS000999624phenylmethyl indolinecarboxylateSCHEMBL1076487SCHEMBL1076489SCHEMBL7469639
Show more names
2,3-Dihydro-indole-1-carboxylic acid benzyl ester1H-Indole-1-carboxylic acid, 2,3-dihydro-, phenylmethyl ester
CHEMBL1517233SCHEMBL30659283DTXSID301238768HMS1604G07HMS2847J07STL064717AKOS000499599SMR000498783
Database identifiers
- CAS
132431-12-0- PubChem CID
- 4935693
- DTXSID
DTXSID301238768- ChEMBL
CHEMBL1517233- Nikkaji
- J1.326.043E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 312
Experimental & physicochemical properties
Solubility0.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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