tert-butyl 2,3-dihydroindole-1-carboxylate

C13H17NO2 — CID 3663954

IUPACtert-butyl 2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3
InChIKeyGWAXLDLPPZPQLO-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.98
Rot. Bonds

About tert-butyl 2,3-dihydroindole-1-carboxylate

tert-butyl 2,3-dihydroindole-1-carboxylate (PubChem CID 3663954) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl 2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-dihydroindole-1-carboxylate
PubChem CID3663954
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nametert-butyl 2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ccccc21
InChIInChI=1S/C13H17NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3
InChIKeyGWAXLDLPPZPQLO-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 2,3-dihydroindole-1-carboxylate (CID 3663954) is tert-butyl 2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CCc2ccccc21.
What is the InChIKey of tert-butyl 2,3-dihydroindole-1-carboxylate?
The InChIKey is GWAXLDLPPZPQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,3)16-12(15)14-9-8-10-6-4-5-7-11(10)14/h4-7H,8-9H2,1-3H3.
What are the key properties of tert-butyl 2,3-dihydroindole-1-carboxylate?
tert-butyl 2,3-dihydroindole-1-carboxylate has a molecular weight of 219.28 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 3663954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).