tert-butyl furo[3,4-b]pyrrole-1-carboxylate

C11H13NO3 — CID 168870620

IUPACtert-butyl furo[3,4-b]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2cocc21
InChIInChI=1S/C11H13NO3/c1-11(2,3)15-10(13)12-5-4-8-6-14-7-9(8)12/h4-7H,1-3H3
InChIKeyJXYOYLVTAVGVRQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP3.02
Rot. Bonds

About tert-butyl furo[3,4-b]pyrrole-1-carboxylate

tert-butyl furo[3,4-b]pyrrole-1-carboxylate (PubChem CID 168870620) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is tert-butyl furo[3,4-b]pyrrole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl furo[3,4-b]pyrrole-1-carboxylate
PubChem CID168870620
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nametert-butyl furo[3,4-b]pyrrole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1ccc2cocc21
InChIInChI=1S/C11H13NO3/c1-11(2,3)15-10(13)12-5-4-8-6-14-7-9(8)12/h4-7H,1-3H3
InChIKeyJXYOYLVTAVGVRQ-UHFFFAOYSA-N
XLogP3.02
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-hydroxyindole-1-carboxylate
CID 22596220
tert-butyl 5-bromoindole-1-carboxylate
CID 76974567
tert-butyl 5-sulfanylindole-1-carboxylate
CID 67040248
1-[(2-methylpropan-2-yl)oxycarbonyl]indole-6-carboxylic acid
CID 22344502
tert-butyl 4-oxoquinoline-1-carboxylate
CID 71540334
tert-butyl 6-bromo-5-methylindole-1-carboxylate
CID 172561503
tert-butyl 5-formylindole-1-carboxylate
CID 11172622
tert-butyl 6-(hydroxymethyl)indole-1-carboxylate
CID 23560816
tert-butyl 6-[tert-butyl(dimethyl)silyl]oxyindole-1-carboxylate
CID 16654571
tert-butyl 6-bromo-5-chloroindole-1-carboxylate
CID 58508986
tert-butyl 5-(difluoromethyl)indole-1-carboxylate
CID 112757173
tert-butyl 6-(fluoromethyl)indole-1-carboxylate
CID 14616864

Frequently Asked Questions

What is the IUPAC name of tert-butyl furo[3,4-b]pyrrole-1-carboxylate?
The IUPAC name of tert-butyl furo[3,4-b]pyrrole-1-carboxylate (CID 168870620) is tert-butyl furo[3,4-b]pyrrole-1-carboxylate.
What is the SMILES notation for tert-butyl furo[3,4-b]pyrrole-1-carboxylate?
The canonical SMILES for tert-butyl furo[3,4-b]pyrrole-1-carboxylate is CC(C)(C)OC(=O)n1ccc2cocc21.
What is the InChIKey of tert-butyl furo[3,4-b]pyrrole-1-carboxylate?
The InChIKey is JXYOYLVTAVGVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-11(2,3)15-10(13)12-5-4-8-6-14-7-9(8)12/h4-7H,1-3H3.
What are the key properties of tert-butyl furo[3,4-b]pyrrole-1-carboxylate?
tert-butyl furo[3,4-b]pyrrole-1-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl furo[3,4-b]pyrrole-1-carboxylate is sourced from PubChem (CID 168870620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).