methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate

C17H17NO2 — CID 134948095

IUPACmethyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate
SMILESCOC(=O)[C@@]1(Cc2ccccc2)Cc2ccccc2N1
InChIInChI=1S/C17H17NO2/c1-20-16(19)17(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)18-17/h2-10,18H,11-12H2,1H3/t17-/m1/s1
InChIKeyAMEFEXJJLFPVNN-QGZVFWFLSA-N
MW267.33 g/mol
LogP2.81
Rot. Bonds3

About methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate

methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate (PubChem CID 134948095) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate
PubChem CID134948095
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate
SMILESCOC(=O)[C@@]1(Cc2ccccc2)Cc2ccccc2N1
InChIInChI=1S/C17H17NO2/c1-20-16(19)17(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)18-17/h2-10,18H,11-12H2,1H3/t17-/m1/s1
InChIKeyAMEFEXJJLFPVNN-QGZVFWFLSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate (CID 134948095) is methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate is COC(=O)[C@@]1(Cc2ccccc2)Cc2ccccc2N1.
What is the InChIKey of methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate?
The InChIKey is AMEFEXJJLFPVNN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO2/c1-20-16(19)17(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)18-17/h2-10,18H,11-12H2,1H3/t17-/m1/s1.
What are the key properties of methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate?
methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-benzyl-1,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 134948095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).