2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole

C175H208N28O4S2 — CID 159388385

About 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole

2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole (PubChem CID 159388385) has the molecular formula C175H208N28O4S2 and a molecular weight of 2831.91 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole.

Molecular Properties

• Compound Name: 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole
• PubChem CID: 159388385
• Molecular Formula: C175H208N28O4S2
• Molecular Weight: 2831.91 g/mol
• Exact Mass: 2829.64
• IUPAC Name: 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole
• SMILES: C.C.C.C.C.C1=C2CCCC2=NC1.C1=CNc2ccccc2N1.C1=c2ccccc2=NC1.C1CC2=C(C1)NCN2.c1cc2c([nH]1)CCC2.c1cc2c(cn1)CCC2.c1cc2c(o1)CCC2.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)OCCO2.c1ccc2cnncc2c1.c1ccc2ncncc2c1.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCC2.c1cnc2c(n1)CCC2.c1cnc2c(n1)CCC2.c1nc2c([nH]1)CCC2.c1nc2c(o1)CCC2.c1nc2c(s1)CCC2.c1nc2c(s1)CCCC2.c1ncc2c(n1)CCC2
• InChI: InChI=1S/C9H10.2C8H6N2.C8H8N2.5C8H9N.2C8H7N.C8H8O2.3C7H8N2.C7H9NS.2C7H9N.C7H8O.C6H10N2.C6H8N2.C6H7NO.C6H7NS.5CH4/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;4*1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-4-8-5-9-7(6)3-1;2*1-2-6-7(3-1)9-5-4-8-6;1-2-4-7-6(3-1)8-5-9-7;3*1-2-6-4-5-8-7(6)3-1;4*1-2-5-6(3-1)8-4-7-5;;;;;/h1-2,4-5H,3,6-7H2;2*1-6H;1-6,9-10H;4*2,4,6H,1,3,5H2;4-6H,1-3H2;1-5H,6H2;1-6,9H;1-4H,5-6H2;3*4-5H,1-3H2;5H,1-4H2;4H,1-3,5H2;4-5,8H,1-3H2;4-5H,1-3H2;7-8H,1-4H2;4H,1-3H2,(H,7,8);2*4H,1-3H2;5*1H4
• InChIKey: REUREPDBQJAMGX-UHFFFAOYSA-N
• XLogP: 36.15
• TPSA: 409.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2831.91
LogP ≤ 5	36.15
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?

The IUPAC name of 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole (CID 159388385) is 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole.

What is the SMILES notation for 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?

The canonical SMILES for 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole is C.C.C.C.C.C1=C2CCCC2=NC1.C1=CNc2ccccc2N1.C1=c2ccccc2=NC1.C1CC2=C(C1)NCN2.c1cc2c([nH]1)CCC2.c1cc2c(cn1)CCC2.c1cc2c(o1)CCC2.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)OCCO2.c1ccc2cnncc2c1.c1ccc2ncncc2c1.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCC2.c1cnc2c(n1)CCC2.c1cnc2c(n1)CCC2.c1nc2c([nH]1)CCC2.c1nc2c(o1)CCC2.c1nc2c(s1)CCC2.c1nc2c(s1)CCCC2.c1ncc2c(n1)CCC2.

What is the InChIKey of 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?

The InChIKey is REUREPDBQJAMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.2C8H6N2.C8H8N2.5C8H9N.2C8H7N.C8H8O2.3C7H8N2.C7H9NS.2C7H9N.C7H8O.C6H10N2.C6H8N2.C6H7NO.C6H7NS.5CH4/c1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)9-5-6-10-8;4*1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-4-8-5-9-7(6)3-1;2*1-2-6-7(3-1)9-5-4-8-6;1-2-4-7-6(3-1)8-5-9-7;3*1-2-6-4-5-8-7(6)3-1;4*1-2-5-6(3-1)8-4-7-5;;;;;/h1-2,4-5H,3,6-7H2;2*1-6H;1-6,9-10H;4*2,4,6H,1,3,5H2;4-6H,1-3H2;1-5H,6H2;1-6,9H;1-4H,5-6H2;3*4-5H,1-3H2;5H,1-4H2;4H,1-3,5H2;4-5,8H,1-3H2;4-5H,1-3H2;7-8H,1-4H2;4H,1-3H2,(H,7,8);2*4H,1-3H2;5*1H4.

What are the key properties of 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole?

2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole has a molecular weight of 2831.91 g/mol, XLogP of 36.15, 0 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1,4-benzodioxine;5,6-dihydro-4H-cyclopenta[b]furan;bis(6,7-dihydro-5H-cyclopenta[b]pyrazine);tetrakis(6,7-dihydro-5H-cyclopenta[b]pyridine);6,7-dihydro-5H-cyclopenta[c]pyridine;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;6,7-dihydro-5H-cyclopenta[d]pyrimidine;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;1,4-dihydroquinoxaline;1,2,3,4,5,6-hexahydrocyclopenta[d]imidazole;1H-indole;2H-indole;methane;phthalazine;quinazoline;4,5,6,7-tetrahydro-1,3-benzothiazole;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;2,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole is sourced from PubChem (CID 159388385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).