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[b]pyrrole;1H-indole;2H-indole;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

C163H181N27O2S2 — CID 159148126

IUPAC5,6-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[b]pyrrole;1H-indole;2H-indole;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
SMILESC1=C2CCCC2=NC1.C1=CNc2ccccc2N1.C1=c2ccccc2=NC1.C1CC2=C(C1)NCC2.c1cc2c([nH]1)CCC2.c1cc2c(cn1)CCC2.c1cc2c(o1)CCC2.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.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
InChIInChI=1S/C9H10.2C8H6N2.C8H8N2.5C8H9N.2C8H7N.3C7H8N2.C7H9NS.C7H11N.2C7H9N.C7H8O.C6H8N2.C6H7NO.C6H7NS/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;1-2-6-4-8-5-9-7(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;4*1-2-6-4-5-8-7(6)3-1;3*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;3*4-5H,1-3H2;5H,1-4H2;8H,1-5H2;4H,1-3,5H2;4-5,8H,1-3H2;4-5H,1-3H2;4H,1-3H2,(H,7,8);2*4H,1-3H2
InChIKeySAMKUNQAGWNBQR-UHFFFAOYSA-N
MW2614.56 g/mol
LogP32.40
Rot. Bonds

About 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[b]pyrrole;1H-indole;2H-indole;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

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[b]pyrrole;1H-indole;2H-indole;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 159148126) has the molecular formula C163H181N27O2S2 and a molecular weight of 2614.56 g/mol. Its IUPAC name is 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[b]pyrrole;1H-indole;2H-indole;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 Name5,6-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[b]pyrrole;1H-indole;2H-indole;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 CID159148126
Molecular FormulaC163H181N27O2S2
Molecular Weight2614.56 g/mol
Exact Mass2612.43
IUPAC Name5,6-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[b]pyrrole;1H-indole;2H-indole;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
SMILESC1=C2CCCC2=NC1.C1=CNc2ccccc2N1.C1=c2ccccc2=NC1.C1CC2=C(C1)NCC2.c1cc2c([nH]1)CCC2.c1cc2c(cn1)CCC2.c1cc2c(o1)CCC2.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.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
InChIInChI=1S/C9H10.2C8H6N2.C8H8N2.5C8H9N.2C8H7N.3C7H8N2.C7H9NS.C7H11N.2C7H9N.C7H8O.C6H8N2.C6H7NO.C6H7NS/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;1-2-6-4-8-5-9-7(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;4*1-2-6-4-5-8-7(6)3-1;3*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;3*4-5H,1-3H2;5H,1-4H2;8H,1-5H2;4H,1-3,5H2;4-5,8H,1-3H2;4-5H,1-3H2;4H,1-3H2,(H,7,8);2*4H,1-3H2
InChIKeySAMKUNQAGWNBQR-UHFFFAOYSA-N
XLogP32.40
TPSA379.37 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms194
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002614.56
LogP ≤ 532.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 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[b]pyrrole;1H-indole;2H-indole;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 with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 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[b]pyrrole;1H-indole;2H-indole;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 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[b]pyrrole;1H-indole;2H-indole;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 159148126) is 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[b]pyrrole;1H-indole;2H-indole;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 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[b]pyrrole;1H-indole;2H-indole;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 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[b]pyrrole;1H-indole;2H-indole;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 C1=C2CCCC2=NC1.C1=CNc2ccccc2N1.C1=c2ccccc2=NC1.C1CC2=C(C1)NCC2.c1cc2c([nH]1)CCC2.c1cc2c(cn1)CCC2.c1cc2c(o1)CCC2.c1ccc2[nH]ccc2c1.c1ccc2c(c1)CCC2.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 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[b]pyrrole;1H-indole;2H-indole;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 SAMKUNQAGWNBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.2C8H6N2.C8H8N2.5C8H9N.2C8H7N.3C7H8N2.C7H9NS.C7H11N.2C7H9N.C7H8O.C6H8N2.C6H7NO.C6H7NS/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;1-2-6-4-8-5-9-7(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;4*1-2-6-4-5-8-7(6)3-1;3*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;3*4-5H,1-3H2;5H,1-4H2;8H,1-5H2;4H,1-3,5H2;4-5,8H,1-3H2;4-5H,1-3H2;4H,1-3H2,(H,7,8);2*4H,1-3H2.
What are the key properties of 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[b]pyrrole;1H-indole;2H-indole;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?
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[b]pyrrole;1H-indole;2H-indole;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 2614.56 g/mol, XLogP of 32.40, 0 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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[b]pyrrole;1H-indole;2H-indole;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 159148126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).