6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine

C13H15N3O — CID 66757582

IUPAC6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine
SMILESc1cc2ncc(N3C[C@H]4CNC[C@H]4C3)cc2o1
InChIInChI=1S/C13H15N3O/c1-2-17-13-3-11(6-15-12(1)13)16-7-9-4-14-5-10(9)8-16/h1-3,6,9-10,14H,4-5,7-8H2/t9-,10+
InChIKeyBYSSTXQZDLJWLA-AOOOYVTPSA-N
MW229.28 g/mol
LogP1.48
Rot. Bonds1

About 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine

6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine (PubChem CID 66757582) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine
PubChem CID66757582
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine
SMILESc1cc2ncc(N3C[C@H]4CNC[C@H]4C3)cc2o1
InChIInChI=1S/C13H15N3O/c1-2-17-13-3-11(6-15-12(1)13)16-7-9-4-14-5-10(9)8-16/h1-3,6,9-10,14H,4-5,7-8H2/t9-,10+
InChIKeyBYSSTXQZDLJWLA-AOOOYVTPSA-N
XLogP1.48
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine?
The IUPAC name of 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine (CID 66757582) is 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine?
The canonical SMILES for 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine is c1cc2ncc(N3C[C@H]4CNC[C@H]4C3)cc2o1.
What is the InChIKey of 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine?
The InChIKey is BYSSTXQZDLJWLA-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H15N3O/c1-2-17-13-3-11(6-15-12(1)13)16-7-9-4-14-5-10(9)8-16/h1-3,6,9-10,14H,4-5,7-8H2/t9-,10+.
What are the key properties of 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine?
6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine has a molecular weight of 229.28 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 66757582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).