tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate

C13H23NO3 — CID 91215320

IUPACtert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate
SMILESCC1OC2C(CCN2C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C13H23NO3/c1-8-9(2)16-11-10(8)6-7-14(11)12(15)17-13(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyZTYACGPSXUQKHU-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.62
Rot. Bonds

About tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate

tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate (PubChem CID 91215320) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate
PubChem CID91215320
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate
SMILESCC1OC2C(CCN2C(=O)OC(C)(C)C)C1C
InChIInChI=1S/C13H23NO3/c1-8-9(2)16-11-10(8)6-7-14(11)12(15)17-13(3,4)5/h8-11H,6-7H2,1-5H3
InChIKeyZTYACGPSXUQKHU-UHFFFAOYSA-N
XLogP2.62
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate?
The IUPAC name of tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate (CID 91215320) is tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate.
What is the SMILES notation for tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate?
The canonical SMILES for tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate is CC1OC2C(CCN2C(=O)OC(C)(C)C)C1C.
What is the InChIKey of tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate?
The InChIKey is ZTYACGPSXUQKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8-9(2)16-11-10(8)6-7-14(11)12(15)17-13(3,4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate?
tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-dimethyl-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]pyrrole-6-carboxylate is sourced from PubChem (CID 91215320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).