1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

C63H84Cl8N8O11 — CID 160749603

About 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid

1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid (PubChem CID 160749603) has the molecular formula C63H84Cl8N8O11 and a molecular weight of 1413.03 g/mol. Its IUPAC name is 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
• PubChem CID: 160749603
• Molecular Formula: C63H84Cl8N8O11
• Molecular Weight: 1413.03 g/mol
• Exact Mass: 1408.38
• IUPAC Name: 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)CC[C@H]1CC1(Cl)Cl.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)CC[C@H]2CC2(Cl)Cl)c2ccccc12.NC[C@H]1CC1(Cl)Cl.O=C(CC[C@H]1CC1(Cl)Cl)[C@@H]1C[C@H]2C[C@H]2N1
• InChI: InChI=1S/C21H22Cl2N4O3.C16H23Cl2NO3.C11H15Cl2NO.C11H17NO4.C4H7Cl2N/c22-21(23)9-12(21)5-6-17(28)16-8-11-7-15(11)27(16)18(29)10-26-14-4-2-1-3-13(14)19(25-26)20(24)30;1-15(2,3)22-14(21)19-11-6-9(11)7-12(19)13(20)5-4-10-8-16(10,17)18;12-11(13)5-7(11)1-2-10(15)9-4-6-3-8(6)14-9;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;5-4(6)1-3(4)2-7/h1-4,11-12,15-16H,5-10H2,(H2,24,30);9-12H,4-8H2,1-3H3;6-9,14H,1-5H2;6-8H,4-5H2,1-3H3,(H,13,14);3H,1-2,7H2/t11-,12+,15-,16+;9-,10+,11-,12+;6-,7+,8-,9+;6-,7-,8+;3-/m11111/s1
• InChIKey: RWQJNRSDANTAIT-YZODZGTLSA-N
• XLogP: 11.48
• TPSA: 266.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1413.03
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?

The IUPAC name of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid (CID 160749603) is 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid.

What is the SMILES notation for 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?

The canonical SMILES for 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid is CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)CC[C@H]1CC1(Cl)Cl.CC(C)(C)OC(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)O.NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)CC[C@H]2CC2(Cl)Cl)c2ccccc12.NC[C@H]1CC1(Cl)Cl.O=C(CC[C@H]1CC1(Cl)Cl)[C@@H]1C[C@H]2C[C@H]2N1.

What is the InChIKey of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?

The InChIKey is RWQJNRSDANTAIT-YZODZGTLSA-N. The full InChI is InChI=1S/C21H22Cl2N4O3.C16H23Cl2NO3.C11H15Cl2NO.C11H17NO4.C4H7Cl2N/c22-21(23)9-12(21)5-6-17(28)16-8-11-7-15(11)27(16)18(29)10-26-14-4-2-1-3-13(14)19(25-26)20(24)30;1-15(2,3)22-14(21)19-11-6-9(11)7-12(19)13(20)5-4-10-8-16(10,17)18;12-11(13)5-7(11)1-2-10(15)9-4-6-3-8(6)14-9;1-11(2,3)16-10(15)12-7-4-6(7)5-8(12)9(13)14;5-4(6)1-3(4)2-7/h1-4,11-12,15-16H,5-10H2,(H2,24,30);9-12H,4-8H2,1-3H3;6-9,14H,1-5H2;6-8H,4-5H2,1-3H3,(H,13,14);3H,1-2,7H2/t11-,12+,15-,16+;9-,10+,11-,12+;6-,7+,8-,9+;6-,7-,8+;3-/m11111/s1.

What are the key properties of 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid?

1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid has a molecular weight of 1413.03 g/mol, XLogP of 11.48, 17 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-3-[(1S)-2,2-dichlorocyclopropyl]propan-1-one;tert-butyl (1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;[(1R)-2,2-dichlorocyclopropyl]methanamine;1-[2-[(1R,3S,5R)-3-[3-[(1S)-2,2-dichlorocyclopropyl]propanoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide;(1R,3S,5R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid is sourced from PubChem (CID 160749603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).