(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole

C6H11NO — CID 75531157

IUPAC(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole
SMILESC1C[C@H]2CNC[C@H]2O1
InChIInChI=1S/C6H11NO/c1-2-8-6-4-7-3-5(1)6/h5-7H,1-4H2/t5-,6+/m0/s1
InChIKeyKUQSQOIIMSDGFF-NTSWFWBYSA-N
MW113.16 g/mol
LogP-0.01
Rot. Bonds

About (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole

(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole (PubChem CID 75531157) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole
PubChem CID75531157
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole
SMILESC1C[C@H]2CNC[C@H]2O1
InChIInChI=1S/C6H11NO/c1-2-8-6-4-7-3-5(1)6/h5-7H,1-4H2/t5-,6+/m0/s1
InChIKeyKUQSQOIIMSDGFF-NTSWFWBYSA-N
XLogP-0.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole?
The IUPAC name of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole (CID 75531157) is (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole.
What is the SMILES notation for (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole?
The canonical SMILES for (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole is C1C[C@H]2CNC[C@H]2O1.
What is the InChIKey of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole?
The InChIKey is KUQSQOIIMSDGFF-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-8-6-4-7-3-5(1)6/h5-7H,1-4H2/t5-,6+/m0/s1.
What are the key properties of (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole?
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole has a molecular weight of 113.16 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[2,3-c]pyrrole is sourced from PubChem (CID 75531157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).