(3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C7H13NO — CID 58095467

IUPAC(3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESCN1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C7H13NO/c1-8-2-6-4-9-5-7(6)3-8/h6-7H,2-5H2,1H3/t6-,7+
InChIKeyKAUMXIFOBGXMIF-KNVOCYPGSA-N
MW127.19 g/mol
LogP0.19
Rot. Bonds

About (3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

(3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 58095467) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID58095467
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESCN1C[C@H]2COC[C@H]2C1
InChIInChI=1S/C7H13NO/c1-8-2-6-4-9-5-7(6)3-8/h6-7H,2-5H2,1H3/t6-,7+
InChIKeyKAUMXIFOBGXMIF-KNVOCYPGSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of (3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 58095467) is (3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is CN1C[C@H]2COC[C@H]2C1.
What is the InChIKey of (3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is KAUMXIFOBGXMIF-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H13NO/c1-8-2-6-4-9-5-7(6)3-8/h6-7H,2-5H2,1H3/t6-,7+.
What are the key properties of (3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
(3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 127.19 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 58095467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).