benzyl 2,3-dihydroindole-1-carboxylate

C16H15NO2 — CID 4935693

IUPACbenzyl 2,3-dihydroindole-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H15NO2/c18-16(19-12-13-6-2-1-3-7-13)17-11-10-14-8-4-5-9-15(14)17/h1-9H,10-12H2
InChIKeyNWNPYJBRVCYRMG-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.39
Rot. Bonds2

About benzyl 2,3-dihydroindole-1-carboxylate

benzyl 2,3-dihydroindole-1-carboxylate (PubChem CID 4935693) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is benzyl 2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2,3-dihydroindole-1-carboxylate
PubChem CID4935693
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namebenzyl 2,3-dihydroindole-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C16H15NO2/c18-16(19-12-13-6-2-1-3-7-13)17-11-10-14-8-4-5-9-15(14)17/h1-9H,10-12H2
InChIKeyNWNPYJBRVCYRMG-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl 2,3-dihydroindole-1-carboxylate?
The IUPAC name of benzyl 2,3-dihydroindole-1-carboxylate (CID 4935693) is benzyl 2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for benzyl 2,3-dihydroindole-1-carboxylate?
The canonical SMILES for benzyl 2,3-dihydroindole-1-carboxylate is O=C(OCc1ccccc1)N1CCc2ccccc21.
What is the InChIKey of benzyl 2,3-dihydroindole-1-carboxylate?
The InChIKey is NWNPYJBRVCYRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-16(19-12-13-6-2-1-3-7-13)17-11-10-14-8-4-5-9-15(14)17/h1-9H,10-12H2.
What are the key properties of benzyl 2,3-dihydroindole-1-carboxylate?
benzyl 2,3-dihydroindole-1-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 4935693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).