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

C7H13NO — CID 130851400

IUPAC(3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESC[C@@]12CCO[C@@H]1CNC2
InChIInChI=1S/C7H13NO/c1-7-2-3-9-6(7)4-8-5-7/h6,8H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyZOIPQFFXGGPDKV-RQJHMYQMSA-N
MW127.19 g/mol
LogP0.38
Rot. Bonds

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

(3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole (PubChem CID 130851400) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
PubChem CID130851400
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole
SMILESC[C@@]12CCO[C@@H]1CNC2
InChIInChI=1S/C7H13NO/c1-7-2-3-9-6(7)4-8-5-7/h6,8H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyZOIPQFFXGGPDKV-RQJHMYQMSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
The IUPAC name of (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole (CID 130851400) is (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole.
What is the SMILES notation for (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
The canonical SMILES for (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole is C[C@@]12CCO[C@@H]1CNC2.
What is the InChIKey of (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
The InChIKey is ZOIPQFFXGGPDKV-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H13NO/c1-7-2-3-9-6(7)4-8-5-7/h6,8H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole?
(3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole has a molecular weight of 127.19 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3a-methyl-2,3,4,5,6,6a-hexahydrofuro[2,3-c]pyrrole is sourced from PubChem (CID 130851400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).