tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate

C12H22N2O3 — CID 54088009

IUPACtert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate
SMILESCC1CC2NCC(NC(=O)OC(C)(C)C)C2O1
InChIInChI=1S/C12H22N2O3/c1-7-5-8-10(16-7)9(6-13-8)14-11(15)17-12(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyMRVUSPQLODMLCQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.03
Rot. Bonds1

About tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate

tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate (PubChem CID 54088009) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate
PubChem CID54088009
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate
SMILESCC1CC2NCC(NC(=O)OC(C)(C)C)C2O1
InChIInChI=1S/C12H22N2O3/c1-7-5-8-10(16-7)9(6-13-8)14-11(15)17-12(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyMRVUSPQLODMLCQ-UHFFFAOYSA-N
XLogP1.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate (CID 54088009) is tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate is CC1CC2NCC(NC(=O)OC(C)(C)C)C2O1.
What is the InChIKey of tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate?
The InChIKey is MRVUSPQLODMLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7-5-8-10(16-7)9(6-13-8)14-11(15)17-12(2,3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15).
What are the key properties of tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate?
tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-6-yl)carbamate is sourced from PubChem (CID 54088009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).