tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate

C16H21NO3 — CID 170628662

IUPACtert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ccc(C3COC3)cc21
InChIInChI=1S/C16H21NO3/c1-16(2,3)20-15(18)17-7-6-11-4-5-12(8-14(11)17)13-9-19-10-13/h4-5,8,13H,6-7,9-10H2,1-3H3
InChIKeyLNTAOSUDUCOPOV-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.10
Rot. Bonds1

About tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate

tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate (PubChem CID 170628662) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate
PubChem CID170628662
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Nametert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ccc(C3COC3)cc21
InChIInChI=1S/C16H21NO3/c1-16(2,3)20-15(18)17-7-6-11-4-5-12(8-14(11)17)13-9-19-10-13/h4-5,8,13H,6-7,9-10H2,1-3H3
InChIKeyLNTAOSUDUCOPOV-UHFFFAOYSA-N
XLogP3.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-(2-trimethylsilylethynyl)-2,3-dihydroindole-1-carboxylate
CID 152530989
tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate
CID 170628687
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
tert-butyl 6-(2-hydroxy-2-methylpropoxy)-2,3-dihydroindole-1-carboxylate
CID 90299291
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 59556816
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 6-amino-5-hydroxy-2,3-dihydroindole-1-carboxylate
CID 82382818
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
tert-butyl 6-cyclopropyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 139461198
tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate
CID 117487377
tert-butyl 7-chlorosulfonyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 131556812

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate (CID 170628662) is tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CCc2ccc(C3COC3)cc21.
What is the InChIKey of tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is LNTAOSUDUCOPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-16(2,3)20-15(18)17-7-6-11-4-5-12(8-14(11)17)13-9-19-10-13/h4-5,8,13H,6-7,9-10H2,1-3H3.
What are the key properties of tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate?
tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 170628662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).