9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one

C93H117N25O12 — CID 158456853

About 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one

9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one (PubChem CID 158456853) has the molecular formula C93H117N25O12 and a molecular weight of 1777.12 g/mol. Its IUPAC name is 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one.

Molecular Properties

• Compound Name: 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
• PubChem CID: 158456853
• Molecular Formula: C93H117N25O12
• Molecular Weight: 1777.12 g/mol
• Exact Mass: 1775.93
• IUPAC Name: 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
• SMILES: C=C1C=C(N2CCCC3(CCN(CC(O)c4ccc(-n5cnnn5)cn4)CC3)C2=O)CC1.C=C1CCC(N2CCC3(CCCN(CC(O)c4ccc(-n5cnnn5)nn4)CC3)C2=O)=C1C.C=C1CCC(N2CCOC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)=C1C.CC1=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nn4)CC3)C2=O)CCC1=O
• InChI: InChI=1S/C26H32N2O5.C23H30N8O2.C23H29N7O2.C21H26N8O3/c1-16-4-7-22(17(16)2)28-12-13-33-26(25(28)31)8-10-27(11-9-26)14-23(29)19-5-6-20-21(18(19)3)15-32-24(20)30;1-16-4-6-19(17(16)2)30-13-10-23(22(30)33)8-3-11-29(12-9-23)14-20(32)18-5-7-21(26-25-18)31-15-24-27-28-31;1-17-3-4-18(13-17)29-10-2-7-23(22(29)32)8-11-28(12-9-23)15-21(31)20-6-5-19(14-24-20)30-16-25-26-27-30;1-14-16(3-4-17(14)30)28-11-8-21(20(28)32)6-9-27(10-7-21)12-18(31)15-2-5-19(24-23-15)29-13-22-25-26-29/h5-6,23,29H,1,4,7-15H2,2-3H3;5,7,15,20,32H,1,3-4,6,8-14H2,2H3;5-6,13-14,16,21,31H,1-4,7-12,15H2;2,5,13,18,31H,3-4,6-12H2,1H3/t23-;;;/m0.../s1
• InChIKey: HERGOEDXEQNVPL-AQUVTFJZSA-N
• XLogP: 7.30
• TPSA: 422.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 19
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1777.12
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The IUPAC name of 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one (CID 158456853) is 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one.

What is the SMILES notation for 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The canonical SMILES for 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one is C=C1C=C(N2CCCC3(CCN(CC(O)c4ccc(-n5cnnn5)cn4)CC3)C2=O)CC1.C=C1CCC(N2CCC3(CCCN(CC(O)c4ccc(-n5cnnn5)nn4)CC3)C2=O)=C1C.C=C1CCC(N2CCOC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2=O)=C1C.CC1=C(N2CCC3(CCN(CC(O)c4ccc(-n5cnnn5)nn4)CC3)C2=O)CCC1=O.

What is the InChIKey of 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?

The InChIKey is HERGOEDXEQNVPL-AQUVTFJZSA-N. The full InChI is InChI=1S/C26H32N2O5.C23H30N8O2.C23H29N7O2.C21H26N8O3/c1-16-4-7-22(17(16)2)28-12-13-33-26(25(28)31)8-10-27(11-9-26)14-23(29)19-5-6-20-21(18(19)3)15-32-24(20)30;1-16-4-6-19(17(16)2)30-13-10-23(22(30)33)8-3-11-29(12-9-23)14-20(32)18-5-7-21(26-25-18)31-15-24-27-28-31;1-17-3-4-18(13-17)29-10-2-7-23(22(29)32)8-11-28(12-9-23)15-21(31)20-6-5-19(14-24-20)30-16-25-26-27-30;1-14-16(3-4-17(14)30)28-11-8-21(20(28)32)6-9-27(10-7-21)12-18(31)15-2-5-19(24-23-15)29-13-22-25-26-29/h5-6,23,29H,1,4,7-15H2,2-3H3;5,7,15,20,32H,1,3-4,6,8-14H2,2H3;5-6,13-14,16,21,31H,1-4,7-12,15H2;2,5,13,18,31H,3-4,6-12H2,1H3/t23-;;;/m0.../s1.

What are the key properties of 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one?

9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one has a molecular weight of 1777.12 g/mol, XLogP of 7.30, 19 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2R)-2-hydroxy-2-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)ethyl]-4-(2-methyl-3-methylidenecyclopenten-1-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-5-one;9-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[4.6]undecan-1-one;8-[2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-(2-methyl-3-oxocyclopenten-1-yl)-2,8-diazaspiro[4.5]decan-1-one;9-[2-hydroxy-2-[5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(3-methylidenecyclopenten-1-yl)-2,9-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 158456853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).