5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

C83H102ClN15O2 — CID 161252621

About 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole

5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 161252621) has the molecular formula C83H102ClN15O2 and a molecular weight of 1377.28 g/mol. Its IUPAC name is 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

• Compound Name: 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
• PubChem CID: 161252621
• Molecular Formula: C83H102ClN15O2
• Molecular Weight: 1377.28 g/mol
• Exact Mass: 1375.80
• IUPAC Name: 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole
• SMILES: C1=C(Cc2ccccc2)CC2CNCC12.C1=C(c2cn[nH]c2)CC2CNCC12.C1=C(c2cncnc2)CC2CNCC12.COc1ccncc1C1=CC2CNCC2C1.Cc1ccc(C2=CC3CNCC3C2)o1.Clc1ncccc1C1=CC2CNCC2C1.Cn1cc(C2=CC3CNCC3C2)cn1
• InChI: InChI=1S/C14H17N.C13H16N2O.C12H13ClN2.C12H15NO.C11H15N3.C11H13N3.C10H13N3/c1-2-4-11(5-3-1)6-12-7-13-9-15-10-14(13)8-12;1-16-13-2-3-14-8-12(13)9-4-10-6-15-7-11(10)5-9;13-12-11(2-1-3-15-12)8-4-9-6-14-7-10(9)5-8;1-8-2-3-12(14-8)9-4-10-6-13-7-11(10)5-9;1-14-7-11(6-13-14)8-2-9-4-12-5-10(9)3-8;1-8(11-5-13-7-14-6-11)2-10-4-12-3-9(1)10;1-7(10-5-12-13-6-10)2-9-4-11-3-8(1)9/h1-5,7,13-15H,6,8-10H2;2-4,8,10-11,15H,5-7H2,1H3;1-4,9-10,14H,5-7H2;2-4,10-11,13H,5-7H2,1H3;2,6-7,9-10,12H,3-5H2,1H3;1,5-7,9-10,12H,2-4H2;1,5-6,8-9,11H,2-4H2,(H,12,13)
• InChIKey: VBLWMZILRAWGKZ-UHFFFAOYSA-N
• XLogP: 11.85
• TPSA: 204.64 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1377.28
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?

The IUPAC name of 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole (CID 161252621) is 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole.

What is the SMILES notation for 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?

The canonical SMILES for 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is C1=C(Cc2ccccc2)CC2CNCC12.C1=C(c2cn[nH]c2)CC2CNCC12.C1=C(c2cncnc2)CC2CNCC12.COc1ccncc1C1=CC2CNCC2C1.Cc1ccc(C2=CC3CNCC3C2)o1.Clc1ncccc1C1=CC2CNCC2C1.Cn1cc(C2=CC3CNCC3C2)cn1.

What is the InChIKey of 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?

The InChIKey is VBLWMZILRAWGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C13H16N2O.C12H13ClN2.C12H15NO.C11H15N3.C11H13N3.C10H13N3/c1-2-4-11(5-3-1)6-12-7-13-9-15-10-14(13)8-12;1-16-13-2-3-14-8-12(13)9-4-10-6-15-7-11(10)5-9;13-12-11(2-1-3-15-12)8-4-9-6-14-7-10(9)5-8;1-8-2-3-12(14-8)9-4-10-6-13-7-11(10)5-9;1-14-7-11(6-13-14)8-2-9-4-12-5-10(9)3-8;1-8(11-5-13-7-14-6-11)2-10-4-12-3-9(1)10;1-7(10-5-12-13-6-10)2-9-4-11-3-8(1)9/h1-5,7,13-15H,6,8-10H2;2-4,8,10-11,15H,5-7H2,1H3;1-4,9-10,14H,5-7H2;2-4,10-11,13H,5-7H2,1H3;2,6-7,9-10,12H,3-5H2,1H3;1,5-7,9-10,12H,2-4H2;1,5-6,8-9,11H,2-4H2,(H,12,13).

What are the key properties of 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole?

5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 1377.28 g/mol, XLogP of 11.85, 9 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(2-chloro-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(4-methoxy-3-pyridinyl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(5-methylfuran-2-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1-methylpyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-(1H-pyrazol-4-yl)-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole;5-pyrimidin-5-yl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 161252621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).