(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde

C37H43Br2Cl2F2N5O10 — CID 159126405

About (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde

(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde (PubChem CID 159126405) has the molecular formula C37H43Br2Cl2F2N5O10 and a molecular weight of 986.49 g/mol. Its IUPAC name is (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde.

Molecular Properties

• Compound Name: (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde
• PubChem CID: 159126405
• Molecular Formula: C37H43Br2Cl2F2N5O10
• Molecular Weight: 986.49 g/mol
• Exact Mass: 983.07
• IUPAC Name: (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde
• SMILES: CC1(C)[C@@H]2[C@@H](C=O)N(C=O)C[C@@H]21.O=C[C@@H]1[C@@H]2[C@H](CN1C=O)C2(Br)Br.O=C[C@@H]1[C@@H]2[C@H](CN1C=O)C2(Cl)Cl.O=C[C@@H]1[C@@H]2[C@H](CN1C=O)C2(F)F.O=C[C@@H]1[C@H]2C[C@H]2CN1C=O
• InChI: InChI=1S/C9H13NO2.C7H7Br2NO2.C7H7Cl2NO2.C7H7F2NO2.C7H9NO2/c1-9(2)6-3-10(5-12)7(4-11)8(6)9;3*8-7(9)4-1-10(3-12)5(2-11)6(4)7;9-3-7-6-1-5(6)2-8(7)4-10/h4-8H,3H2,1-2H3;3*2-6H,1H2;3-7H,1-2H2/t6-,7+,8-;3*4-,5+,6-;5-,6-,7+/m00000/s1
• InChIKey: KGIGXKSAUYJWDO-MJWLIVLCSA-N
• XLogP: 1.07
• TPSA: 186.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	986.49
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde?

The IUPAC name of (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde (CID 159126405) is (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde.

What is the SMILES notation for (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde?

The canonical SMILES for (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde is CC1(C)[C@@H]2[C@@H](C=O)N(C=O)C[C@@H]21.O=C[C@@H]1[C@@H]2[C@H](CN1C=O)C2(Br)Br.O=C[C@@H]1[C@@H]2[C@H](CN1C=O)C2(Cl)Cl.O=C[C@@H]1[C@@H]2[C@H](CN1C=O)C2(F)F.O=C[C@@H]1[C@H]2C[C@H]2CN1C=O.

What is the InChIKey of (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde?

The InChIKey is KGIGXKSAUYJWDO-MJWLIVLCSA-N. The full InChI is InChI=1S/C9H13NO2.C7H7Br2NO2.C7H7Cl2NO2.C7H7F2NO2.C7H9NO2/c1-9(2)6-3-10(5-12)7(4-11)8(6)9;3*8-7(9)4-1-10(3-12)5(2-11)6(4)7;9-3-7-6-1-5(6)2-8(7)4-10/h4-8H,3H2,1-2H3;3*2-6H,1H2;3-7H,1-2H2/t6-,7+,8-;3*4-,5+,6-;5-,6-,7+/m00000/s1.

What are the key properties of (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde?

(1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde has a molecular weight of 986.49 g/mol, XLogP of 1.07, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,2S,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dibromo-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-dichloro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1S,2S,5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde;(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,3-dicarbaldehyde is sourced from PubChem (CID 159126405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).