(6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole

C7H13NO — CID 58095394

IUPAC(6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
SMILESCN1CCC2COC[C@@H]21
InChIInChI=1S/C7H13NO/c1-8-3-2-6-4-9-5-7(6)8/h6-7H,2-5H2,1H3/t6?,7-/m0/s1
InChIKeyASRWYQIDVHWFIG-MLWJPKLSSA-N
MW127.19 g/mol
LogP0.34
Rot. Bonds

About (6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole

(6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole (PubChem CID 58095394) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole.

Molecular Properties

Compound Name(6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
PubChem CID58095394
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
SMILESCN1CCC2COC[C@@H]21
InChIInChI=1S/C7H13NO/c1-8-3-2-6-4-9-5-7(6)8/h6-7H,2-5H2,1H3/t6?,7-/m0/s1
InChIKeyASRWYQIDVHWFIG-MLWJPKLSSA-N
XLogP0.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
The IUPAC name of (6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole (CID 58095394) is (6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole.
What is the SMILES notation for (6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
The canonical SMILES for (6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole is CN1CCC2COC[C@@H]21.
What is the InChIKey of (6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
The InChIKey is ASRWYQIDVHWFIG-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-3-2-6-4-9-5-7(6)8/h6-7H,2-5H2,1H3/t6?,7-/m0/s1.
What are the key properties of (6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole?
(6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole has a molecular weight of 127.19 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-1-methyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole is sourced from PubChem (CID 58095394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).