carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane

C125H148N8O9S — CID 157214260

IUPACcarbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane
SMILESC.CCOc1ccc(CN2CCC3C(CC(=O)c4cncc(C)c4)CCC32)c(C)c1-c1ccc(C)cc1.CCOc1ccc(CN2CCC3C(Cc4nc5ccccc5o4)CCC32)c(C)c1-c1ccc(C)cc1.CCOc1ccc(CN2CCC3C(Cc4nc5ccccc5s4)CCC32)c(C)c1-c1ccc(C)cc1.Cc1cncc(C(=O)CC2CCC3C2CCN3Cc2cccc(OC3CCCC3)c2)c1.O=C=O
InChIInChI=1S/C32H36N2O2.C32H38N2O2.C32H36N2OS.C27H34N2O2.CO2.CH4/c1-4-35-30-16-14-25(22(3)32(30)23-11-9-21(2)10-12-23)20-34-18-17-26-24(13-15-28(26)34)19-31-33-27-7-5-6-8-29(27)36-31;1-5-36-31-13-11-26(23(4)32(31)24-8-6-21(2)7-9-24)20-34-15-14-28-25(10-12-29(28)34)17-30(35)27-16-22(3)18-33-19-27;1-4-35-29-16-14-25(22(3)32(29)23-11-9-21(2)10-12-23)20-34-18-17-26-24(13-15-28(26)34)19-31-33-27-7-5-6-8-30(27)36-31;1-19-13-22(17-28-16-19)27(30)15-21-9-10-26-25(21)11-12-29(26)18-20-5-4-8-24(14-20)31-23-6-2-3-7-23;2-1-3;/h5-12,14,16,24,26,28H,4,13,15,17-20H2,1-3H3;6-9,11,13,16,18-19,25,28-29H,5,10,12,14-15,17,20H2,1-4H3;5-12,14,16,24,26,28H,4,13,15,17-20H2,1-3H3;4-5,8,13-14,16-17,21,23,25-26H,2-3,6-7,9-12,15,18H2,1H3;;1H4
InChIKeyASFSJUMGPJBQOX-UHFFFAOYSA-N
MW1938.67 g/mol
LogP27.76
Rot. Bonds29

About carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane

carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane (PubChem CID 157214260) has the molecular formula C125H148N8O9S and a molecular weight of 1938.67 g/mol. Its IUPAC name is carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane.

Molecular Properties

Compound Namecarbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane
PubChem CID157214260
Molecular FormulaC125H148N8O9S
Molecular Weight1938.67 g/mol
Exact Mass1937.11
IUPAC Namecarbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane
SMILESC.CCOc1ccc(CN2CCC3C(CC(=O)c4cncc(C)c4)CCC32)c(C)c1-c1ccc(C)cc1.CCOc1ccc(CN2CCC3C(Cc4nc5ccccc5o4)CCC32)c(C)c1-c1ccc(C)cc1.CCOc1ccc(CN2CCC3C(Cc4nc5ccccc5s4)CCC32)c(C)c1-c1ccc(C)cc1.Cc1cncc(C(=O)CC2CCC3C2CCN3Cc2cccc(OC3CCCC3)c2)c1.O=C=O
InChIInChI=1S/C32H36N2O2.C32H38N2O2.C32H36N2OS.C27H34N2O2.CO2.CH4/c1-4-35-30-16-14-25(22(3)32(30)23-11-9-21(2)10-12-23)20-34-18-17-26-24(13-15-28(26)34)19-31-33-27-7-5-6-8-29(27)36-31;1-5-36-31-13-11-26(23(4)32(31)24-8-6-21(2)7-9-24)20-34-15-14-28-25(10-12-29(28)34)17-30(35)27-16-22(3)18-33-19-27;1-4-35-29-16-14-25(22(3)32(29)23-11-9-21(2)10-12-23)20-34-18-17-26-24(13-15-28(26)34)19-31-33-27-7-5-6-8-30(27)36-31;1-19-13-22(17-28-16-19)27(30)15-21-9-10-26-25(21)11-12-29(26)18-20-5-4-8-24(14-20)31-23-6-2-3-7-23;2-1-3;/h5-12,14,16,24,26,28H,4,13,15,17-20H2,1-3H3;6-9,11,13,16,18-19,25,28-29H,5,10,12,14-15,17,20H2,1-4H3;5-12,14,16,24,26,28H,4,13,15,17-20H2,1-3H3;4-5,8,13-14,16-17,21,23,25-26H,2-3,6-7,9-12,15,18H2,1H3;;1H4
InChIKeyASFSJUMGPJBQOX-UHFFFAOYSA-N
XLogP27.76
TPSA182.86 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001938.67
LogP ≤ 527.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane?
The IUPAC name of carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane (CID 157214260) is carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane.
What is the SMILES notation for carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane?
The canonical SMILES for carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane is C.CCOc1ccc(CN2CCC3C(CC(=O)c4cncc(C)c4)CCC32)c(C)c1-c1ccc(C)cc1.CCOc1ccc(CN2CCC3C(Cc4nc5ccccc5o4)CCC32)c(C)c1-c1ccc(C)cc1.CCOc1ccc(CN2CCC3C(Cc4nc5ccccc5s4)CCC32)c(C)c1-c1ccc(C)cc1.Cc1cncc(C(=O)CC2CCC3C2CCN3Cc2cccc(OC3CCCC3)c2)c1.O=C=O.
What is the InChIKey of carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane?
The InChIKey is ASFSJUMGPJBQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2.C32H38N2O2.C32H36N2OS.C27H34N2O2.CO2.CH4/c1-4-35-30-16-14-25(22(3)32(30)23-11-9-21(2)10-12-23)20-34-18-17-26-24(13-15-28(26)34)19-31-33-27-7-5-6-8-29(27)36-31;1-5-36-31-13-11-26(23(4)32(31)24-8-6-21(2)7-9-24)20-34-15-14-28-25(10-12-29(28)34)17-30(35)27-16-22(3)18-33-19-27;1-4-35-29-16-14-25(22(3)32(29)23-11-9-21(2)10-12-23)20-34-18-17-26-24(13-15-28(26)34)19-31-33-27-7-5-6-8-30(27)36-31;1-19-13-22(17-28-16-19)27(30)15-21-9-10-26-25(21)11-12-29(26)18-20-5-4-8-24(14-20)31-23-6-2-3-7-23;2-1-3;/h5-12,14,16,24,26,28H,4,13,15,17-20H2,1-3H3;6-9,11,13,16,18-19,25,28-29H,5,10,12,14-15,17,20H2,1-4H3;5-12,14,16,24,26,28H,4,13,15,17-20H2,1-3H3;4-5,8,13-14,16-17,21,23,25-26H,2-3,6-7,9-12,15,18H2,1H3;;1H4.
What are the key properties of carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane?
carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane has a molecular weight of 1938.67 g/mol, XLogP of 27.76, 29 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-[1-[(3-cyclopentyloxyphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzothiazole;2-[[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]methyl]-1,3-benzoxazole;2-[1-[[4-ethoxy-2-methyl-3-(4-methylphenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-1-(5-methyl-3-pyridinyl)ethanone;methane is sourced from PubChem (CID 157214260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).