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

C17H17NO2 — CID 134956040

IUPACbenzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate
SMILESC[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-13-11-15-9-5-6-10-16(15)18(13)17(19)20-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyOXIUMNAHGPJLRM-ZDUSSCGKSA-N
MW267.33 g/mol
LogP3.77
Rot. Bonds2

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

benzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate (PubChem CID 134956040) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is benzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate
PubChem CID134956040
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namebenzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate
SMILESC[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
InChIInChI=1S/C17H17NO2/c1-13-11-15-9-5-6-10-16(15)18(13)17(19)20-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyOXIUMNAHGPJLRM-ZDUSSCGKSA-N
XLogP3.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of benzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate (CID 134956040) is benzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate is C[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate?
The InChIKey is OXIUMNAHGPJLRM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-11-15-9-5-6-10-16(15)18(13)17(19)20-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of benzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate?
benzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-methyl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 134956040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).