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

C13H17NO3 — CID 11287775

IUPACtert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2CC1O
InChIInChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-10-7-5-4-6-9(10)8-11(14)15/h4-7,11,15H,8H2,1-3H3
InChIKeyLVSJQLQNMWOLQE-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.30
Rot. Bonds

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

tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate (PubChem CID 11287775) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
PubChem CID11287775
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nametert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2CC1O
InChIInChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-10-7-5-4-6-9(10)8-11(14)15/h4-7,11,15H,8H2,1-3H3
InChIKeyLVSJQLQNMWOLQE-UHFFFAOYSA-N
XLogP2.30
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylate
CID 78438994
1-O-tert-butyl 2-O-methyl (2S)-2,3-dihydroindole-1,2-dicarboxylate
CID 7169783
tert-butyl (2S)-2-(4-fluorophenyl)-2,3-dihydroindole-1-carboxylate
CID 11681181
tert-butyl (2S)-2-[hydroxy(diphenyl)methyl]-2,3-dihydroindole-1-carboxylate
CID 10739815
tert-butyl (2S)-2-(ethoxymethyl)-2,3-dihydroindole-1-carboxylate
CID 175968649
tert-butyl 2-(fluoromethoxy)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 141019688
tert-butyl 9H-acridine-10-carboxylate
CID 102499784
tert-butyl 2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydroindole-1-carboxylate
CID 85217316
tert-butyl 2-[4-(trifluoromethyl)-3H-pyrrol-2-yl]-2,3-dihydroindole-1-carboxylate
CID 58433070
tert-butyl 2-[(3,4-dichlorophenyl)carbamoyl]-2,3-dihydroindole-1-carboxylate
CID 46214621
1-methyl-2,3-dihydroindol-2-ol
CID 70661566
tert-butyl 3-formyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 90005169

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate (CID 11287775) is tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1c2ccccc2CC1O.
What is the InChIKey of tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate?
The InChIKey is LVSJQLQNMWOLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-13(2,3)17-12(16)14-10-7-5-4-6-9(10)8-11(14)15/h4-7,11,15H,8H2,1-3H3.
What are the key properties of tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate?
tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate has a molecular weight of 235.28 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-hydroxy-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 11287775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).