tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate

C14H19NO3 — CID 130067891

IUPACtert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate
SMILESCC1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-9-7-10-5-6-11(16)8-12(10)15(9)13(17)18-14(2,3)4/h5-6,8-9,16H,7H2,1-4H3
InChIKeyUGNOUSGKZWRQFW-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.08
Rot. Bonds

About tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate

tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate (PubChem CID 130067891) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate
PubChem CID130067891
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nametert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate
SMILESCC1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-9-7-10-5-6-11(16)8-12(10)15(9)13(17)18-14(2,3)4/h5-6,8-9,16H,7H2,1-4H3
InChIKeyUGNOUSGKZWRQFW-UHFFFAOYSA-N
XLogP3.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-carbamoyl-6-hydroxy-2,3-dihydroindole-1-carboxylate
CID 139568880
1-[(2-methylpropan-2-yl)oxycarbonyl]-6-propan-2-yl-2,3-dihydroindole-2-carboxylic acid
CID 165438296
tert-butyl (2S)-2-methyl-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 122364870
ditert-butyl 8-hydroxy-2-oxo-4,5-dihydro-3H-1-benzazepine-1,3-dicarboxylate
CID 10134195
tert-butyl 6-bromo-7-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 132589285
tert-butyl 4-(2,5-dihydroxyphenyl)piperazine-1-carboxylate
CID 121260807
tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
CID 11287775
6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 58902236
tert-butyl 5-hydroxy-2-oxo-3H-indole-1-carboxylate
CID 155928671
1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylate
CID 78438994
CID 161363253
CID 161363253
tert-butyl 2-benzoyl-6-fluoro-2,3-dihydroindole-1-carboxylate
CID 71661820

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate (CID 130067891) is tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate is CC1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate?
The InChIKey is UGNOUSGKZWRQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-7-10-5-6-11(16)8-12(10)15(9)13(17)18-14(2,3)4/h5-6,8-9,16H,7H2,1-4H3.
What are the key properties of tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate?
tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-hydroxy-2-methyl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 130067891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).