tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate

C18H23NO3 — CID 170628687

IUPACtert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ccc(C3=CCOCC3)cc21
InChIInChI=1S/C18H23NO3/c1-18(2,3)22-17(20)19-9-6-14-4-5-15(12-16(14)19)13-7-10-21-11-8-13/h4-5,7,12H,6,8-11H2,1-3H3
InChIKeyUYZANIMOTBRUID-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.79
Rot. Bonds1

About tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate

tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate (PubChem CID 170628687) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate
PubChem CID170628687
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Nametert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2ccc(C3=CCOCC3)cc21
InChIInChI=1S/C18H23NO3/c1-18(2,3)22-17(20)19-9-6-14-4-5-15(12-16(14)19)13-7-10-21-11-8-13/h4-5,7,12H,6,8-11H2,1-3H3
InChIKeyUYZANIMOTBRUID-UHFFFAOYSA-N
XLogP3.79
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate
CID 170628662
7-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-1-oxo-4H-isoquinoline-3-carboxylic acid
CID 166792993
tert-butyl 6-(2-trimethylsilylethynyl)-2,3-dihydroindole-1-carboxylate
CID 152530989
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 6-(6-methyl-1H-indazol-3-yl)-2,3-dihydroindole-1-carboxylate
CID 170703681
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 6-amino-5-hydroxy-2,3-dihydroindole-1-carboxylate
CID 82382818
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 6-amino-5-methyl-2,3-dihydroindole-1-carboxylate
CID 83212361
tert-butyl 4-(3,6-dihydro-2H-pyran-4-yl)-5-methyl-9-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-5H-pyrido[3,2-c][1,5]benzoxazepine-11-carboxylate
CID 165115360

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate (CID 170628687) is tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CCc2ccc(C3=CCOCC3)cc21.
What is the InChIKey of tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate?
The InChIKey is UYZANIMOTBRUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-18(2,3)22-17(20)19-9-6-14-4-5-15(12-16(14)19)13-7-10-21-11-8-13/h4-5,7,12H,6,8-11H2,1-3H3.
What are the key properties of tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate?
tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(3,6-dihydro-2H-pyran-4-yl)-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 170628687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).