5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C10H19NO — CID 118901666

IUPAC5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCC(C)(C)N1CC2CCOC2C1
InChIInChI=1S/C10H19NO/c1-10(2,3)11-6-8-4-5-12-9(8)7-11/h8-9H,4-7H2,1-3H3
InChIKeyMIXHSURAYLDHAR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds

About 5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 118901666) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID118901666
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCC(C)(C)N1CC2CCOC2C1
InChIInChI=1S/C10H19NO/c1-10(2,3)11-6-8-4-5-12-9(8)7-11/h8-9H,4-7H2,1-3H3
InChIKeyMIXHSURAYLDHAR-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-tert-butyl-2-oxa-8-aza-5-azanidabicyclo[4.3.0]nonane;rubidium(1+)
CID 59777280
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201
(4aS,7aS)-6-tert-butyl-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 176638930
(3aR,6aR)-5-propan-2-yl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
CID 134166324
3-tert-butyl-3-azabicyclo[3.2.1]octan-8-ol
CID 43810977
5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 22943643
(3aR,6aS)-5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 90292242
(1R,6S)-8-tert-butyl-8-azabicyclo[4.3.1]decan-10-ol
CID 139039444
6-tert-butyl-4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine;3-tert-butyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;methane
CID 159167372
3-tert-butyl-3-azabicyclo[3.3.1]nonan-9-amine
CID 43810988
7-tert-butyl-3-oxa-7-azabicyclo[3.3.1]nonan-9-ol
CID 140929393
7,9-ditert-butyl-3-oxa-7-azabicyclo[3.3.1]nonane
CID 166559685

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of 5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 118901666) is 5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for 5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for 5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is CC(C)(C)N1CC2CCOC2C1.
What is the InChIKey of 5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is MIXHSURAYLDHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-10(2,3)11-6-8-4-5-12-9(8)7-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 169.27 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 118901666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).