(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane

C8H17NO — CID 163257227

IUPAC(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane
SMILESC1NC[C@H]2COC[C@@H]12.CC
InChIInChI=1S/C6H11NO.C2H6/c1-5-3-8-4-6(5)2-7-1;1-2/h5-7H,1-4H2;1-2H3/t5-,6+;
InChIKeyMCJGTIAQWSJXEH-KNCHESJLSA-N
MW143.23 g/mol
LogP0.88
Rot. Bonds

About (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane

(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane (PubChem CID 163257227) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane.

Molecular Properties

Compound Name(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane
PubChem CID163257227
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane
SMILESC1NC[C@H]2COC[C@@H]12.CC
InChIInChI=1S/C6H11NO.C2H6/c1-5-3-8-4-6(5)2-7-1;1-2/h5-7H,1-4H2;1-2H3/t5-,6+;
InChIKeyMCJGTIAQWSJXEH-KNCHESJLSA-N
XLogP0.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane?
The IUPAC name of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane (CID 163257227) is (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane.
What is the SMILES notation for (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane?
The canonical SMILES for (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane is C1NC[C@H]2COC[C@@H]12.CC.
What is the InChIKey of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane?
The InChIKey is MCJGTIAQWSJXEH-KNCHESJLSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-5-3-8-4-6(5)2-7-1;1-2/h5-7H,1-4H2;1-2H3/t5-,6+;.
What are the key properties of (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane?
(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane has a molecular weight of 143.23 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane is sourced from PubChem (CID 163257227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).