tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate

C12H14N2O3 — CID 68729730

IUPACtert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate
SMILESCC(C)(C)OC(=O)On1ccc2ccncc21
InChIInChI=1S/C12H14N2O3/c1-12(2,3)16-11(15)17-14-7-5-9-4-6-13-8-10(9)14/h4-8H,1-3H3
InChIKeyLVJILDVPQCJFJW-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.40
Rot. Bonds1

About tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate

tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate (PubChem CID 68729730) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate.

Molecular Properties

Compound Nametert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate
PubChem CID68729730
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Nametert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate
SMILESCC(C)(C)OC(=O)On1ccc2ccncc21
InChIInChI=1S/C12H14N2O3/c1-12(2,3)16-11(15)17-14-7-5-9-4-6-13-8-10(9)14/h4-8H,1-3H3
InChIKeyLVJILDVPQCJFJW-UHFFFAOYSA-N
XLogP2.40
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl indazol-1-yl carbonate
CID 68841004
diindol-1-yl carbonate
CID 154640293
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-(3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-yl)carbamate
CID 137332643
tert-butyl 2-thiophen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 135061190
tert-butyl 2-naphthalen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 16741844
tert-butyl (2,5-dihydroxypyrrol-1-yl) carbonate
CID 54472893
1-(2-methylbutan-2-yl)pyrrolo[2,3-c]pyridine
CID 167151108
1-oxidopyrrolo[2,3-c]pyridine
CID 87757695
tert-butyl [1,3]thiazolo[4,5-c]pyridine-2-carboxylate
CID 133059343
tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 103120068
indol-1-yl 2-bromo-2-methylpropanoate
CID 175398791
tert-butyl 2-phenylpyrrolo[3,2-c]pyridine-1-carboxylate
CID 69193959

Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate?
The IUPAC name of tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate (CID 68729730) is tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate.
What is the SMILES notation for tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate?
The canonical SMILES for tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate is CC(C)(C)OC(=O)On1ccc2ccncc21.
What is the InChIKey of tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate?
The InChIKey is LVJILDVPQCJFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(2,3)16-11(15)17-14-7-5-9-4-6-13-8-10(9)14/h4-8H,1-3H3.
What are the key properties of tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate?
tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate has a molecular weight of 234.25 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrrolo[2,3-c]pyridin-1-yl carbonate is sourced from PubChem (CID 68729730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).