(3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

C7H13NO — CID 58095387

IUPAC(3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCN1CC2OCC[C@@H]2C1
InChIInChI=1S/C7H13NO/c1-8-4-6-2-3-9-7(6)5-8/h6-7H,2-5H2,1H3/t6-,7?/m1/s1
InChIKeyQYSWLGHPQFYIQO-ULUSZKPHSA-N
MW127.19 g/mol
LogP0.34
Rot. Bonds

About (3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole

(3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 58095387) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID58095387
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESCN1CC2OCC[C@@H]2C1
InChIInChI=1S/C7H13NO/c1-8-4-6-2-3-9-7(6)5-8/h6-7H,2-5H2,1H3/t6-,7?/m1/s1
InChIKeyQYSWLGHPQFYIQO-ULUSZKPHSA-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 (3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 58095387) is (3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is CN1CC2OCC[C@@H]2C1.
What is the InChIKey of (3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is QYSWLGHPQFYIQO-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-4-6-2-3-9-7(6)5-8/h6-7H,2-5H2,1H3/t6-,7?/m1/s1.
What are the key properties of (3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole?
(3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]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 (3aR)-5-methyl-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 58095387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).