benzyl 3-methyl-2,3-dihydroindole-1-carboxylate

C17H17NO2 — CID 10858460

IUPACbenzyl 3-methyl-2,3-dihydroindole-1-carboxylate
SMILESCC1CN(C(=O)OCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-13-11-18(16-10-6-5-9-15(13)16)17(19)20-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyUSHRJBZVYWSYOU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.95
Rot. Bonds2

About benzyl 3-methyl-2,3-dihydroindole-1-carboxylate

benzyl 3-methyl-2,3-dihydroindole-1-carboxylate (PubChem CID 10858460) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is benzyl 3-methyl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-methyl-2,3-dihydroindole-1-carboxylate
PubChem CID10858460
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namebenzyl 3-methyl-2,3-dihydroindole-1-carboxylate
SMILESCC1CN(C(=O)OCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H17NO2/c1-13-11-18(16-10-6-5-9-15(13)16)17(19)20-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3
InChIKeyUSHRJBZVYWSYOU-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-methyl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of benzyl 3-methyl-2,3-dihydroindole-1-carboxylate (CID 10858460) is benzyl 3-methyl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for benzyl 3-methyl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for benzyl 3-methyl-2,3-dihydroindole-1-carboxylate is CC1CN(C(=O)OCc2ccccc2)c2ccccc21.
What is the InChIKey of benzyl 3-methyl-2,3-dihydroindole-1-carboxylate?
The InChIKey is USHRJBZVYWSYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-13-11-18(16-10-6-5-9-15(13)16)17(19)20-12-14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3.
What are the key properties of benzyl 3-methyl-2,3-dihydroindole-1-carboxylate?
benzyl 3-methyl-2,3-dihydroindole-1-carboxylate has a molecular weight of 267.33 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-methyl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 10858460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).