tert-butyl 2-propan-2-ylindole-1-carboxylate

C16H21NO2 — CID 71120624

IUPACtert-butyl 2-propan-2-ylindole-1-carboxylate
SMILESCC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C16H21NO2/c1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5/h6-11H,1-5H3
InChIKeyHXXXMUWNNQGVQT-UHFFFAOYSA-N
MW259.35 g/mol
LogP4.55
Rot. Bonds1

About tert-butyl 2-propan-2-ylindole-1-carboxylate

tert-butyl 2-propan-2-ylindole-1-carboxylate (PubChem CID 71120624) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl 2-propan-2-ylindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-propan-2-ylindole-1-carboxylate
PubChem CID71120624
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nametert-butyl 2-propan-2-ylindole-1-carboxylate
SMILESCC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C16H21NO2/c1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5/h6-11H,1-5H3
InChIKeyHXXXMUWNNQGVQT-UHFFFAOYSA-N
XLogP4.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-(1-aminopropyl)indole-1-carboxylate
CID 102547967
tert-butyl 2-hydroxyindole-1-carboxylate
CID 59887114
tert-butyl 2-[2-(chloromethyl)-1,3,3,3-tetrafluoropropyl]indole-1-carboxylate
CID 153403255
tert-butyl 2-carbamoylindole-1-carboxylate
CID 133057328
chlorooxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]borinic acid
CID 174717062
tert-butyl 2-prop-2-enylindole-1-carboxylate
CID 71425523
tert-butyl 2-(furan-2-yl)indole-1-carboxylate
CID 71078189
tert-butyl 2-(3-fluorophenyl)indole-1-carboxylate
CID 154706702
tert-butyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)indole-1-carboxylate
CID 178183334
tert-butyl 2-phenylpyrrolo[3,2-c]pyridine-1-carboxylate
CID 69193959
tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate
CID 177047458
tert-butyl 2-[4-(cyanomethyl)phenyl]indole-1-carboxylate
CID 25190804

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-propan-2-ylindole-1-carboxylate?
The IUPAC name of tert-butyl 2-propan-2-ylindole-1-carboxylate (CID 71120624) is tert-butyl 2-propan-2-ylindole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-propan-2-ylindole-1-carboxylate?
The canonical SMILES for tert-butyl 2-propan-2-ylindole-1-carboxylate is CC(C)c1cc2ccccc2n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-propan-2-ylindole-1-carboxylate?
The InChIKey is HXXXMUWNNQGVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-11(2)14-10-12-8-6-7-9-13(12)17(14)15(18)19-16(3,4)5/h6-11H,1-5H3.
What are the key properties of tert-butyl 2-propan-2-ylindole-1-carboxylate?
tert-butyl 2-propan-2-ylindole-1-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-propan-2-ylindole-1-carboxylate is sourced from PubChem (CID 71120624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).