5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide

C211H428N30O35S4 — CID 158916814

About 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide

5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide (PubChem CID 158916814) has the molecular formula C211H428N30O35S4 and a molecular weight of 4074.19 g/mol. Its IUPAC name is 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide.

Molecular Properties

• Compound Name: 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide
• PubChem CID: 158916814
• Molecular Formula: C211H428N30O35S4
• Molecular Weight: 4074.19 g/mol
• Exact Mass: 4071.15
• IUPAC Name: 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide
• SMILES: C1=CNCN1.C1=COCCC1.C1CC2(CCN1)CCOC2.C1CC2(CCN1)OCCO2.C1CCCNCC1.C1CCCOCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CCSC1.C1CNC1.C1CNCCN1.C1CNCCNC1.C1CNCN1.C1COCCN1.C1COCO1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1Oc2ccccc2O1.CC(C)N1C(=O)c2ccccc2C1=O.O=C1CCC(=O)N1.O=C1CCCN1.O=C1CCS(=O)(=O)N1.O=C1CNC(=O)N1.O=C1NC(=O)N2CCCC12.O=C1NCCN1.O=C1NCCO1.O=C1NCNc2ccccc21.O=C1NCOc2ccccc21.O=S1(=O)CCCC1.O=S1(=O)CCCN1.c1ccc2c(c1)CCO2
• InChI: InChI=1S/C11H11NO2.C10H12O2.C8H8N2O.C8H7NO2.C8H15NO.C8H8O.C7H13NO2.C6H8N2O2.C6H13N.C6H12O.C5H12N2.C5H11N.C5H10O.C5H8O.C4H10N2.C4H5NO2.C4H9NO.C4H7NO.C4H9N.C4H8O2S.C4H8O.C4H8S.C3H4N2O2.C3H6N2O.C3H8N2.C3H6N2.C3H5NO3S.C3H7NO2S.C3H5NO2.C3H7N.C3H6O2.27C2H6/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-7(2)10-11-8-5-3-4-6-9(8)12-10;11-8-6-3-1-2-4-7(6)9-5-10-8;10-8-6-3-1-2-4-7(6)11-5-9-8;1-4-9-5-2-8(1)3-6-10-7-8;1-2-4-8-7(3-1)5-6-9-8;1-3-8-4-2-7(1)9-5-6-10-7;9-5-4-2-1-3-8(4)6(10)7-5;2*1-2-4-6-7-5-3-1;1-2-6-4-5-7-3-1;3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;6-3-1-2-4(7)5-3;1-3-6-4-2-5-1;6-4-2-1-3-5-4;1-2-4-5-3-1;5-7(6)3-1-2-4-7;2*1-2-4-5-3-1;6-2-1-4-3(7)5-2;6-3-4-1-2-5-3;2*1-2-5-3-4-1;5-3-1-2-8(6,7)4-3;5-7(6)3-1-2-4-7;5-3-4-1-2-6-3;1-2-4-3-1;1-2-5-3-4-1;27*1-2/h3-7H,1-2H3;3-7,10H,1-2H3;1-4,9H,5H2,(H,10,11);1-4H,5H2,(H,9,10);9H,1-7H2;1-4H,5-6H2;8H,1-6H2;4H,1-3H2,(H,7,9,10);7H,1-6H2;1-6H2;6-7H,1-5H2;6H,1-5H2;1-5H2;2,4H,1,3,5H2;5-6H,1-4H2;1-2H2,(H,5,6,7);5H,1-4H2;1-3H2,(H,5,6);5H,1-4H2;1-4H2;2*1-4H2;1H2,(H2,4,5,6,7);1-2H2,(H2,4,5,6);4-5H,1-3H2;1-2,4-5H,3H2;1-2H2,(H,4,5);4H,1-3H2;1-2H2,(H,4,5);4H,1-3H2;1-3H2;27*1-2H3
• InChIKey: JHIGQNRPVYCSNL-UHFFFAOYSA-N
• XLogP: 36.86
• TPSA: 823.17 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 52
• Rotatable Bonds: 2
• Heavy Atoms: 280
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4074.19
LogP ≤ 5	36.86
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide?

The IUPAC name of 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide (CID 158916814) is 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide.

What is the SMILES notation for 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide?

The canonical SMILES for 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide is C1=CNCN1.C1=COCCC1.C1CC2(CCN1)CCOC2.C1CC2(CCN1)OCCO2.C1CCCNCC1.C1CCCOCC1.C1CCNC1.C1CCNCC1.C1CCOC1.C1CCOCC1.C1CCSC1.C1CNC1.C1CNCCN1.C1CNCCNC1.C1CNCN1.C1COCCN1.C1COCO1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C1Oc2ccccc2O1.CC(C)N1C(=O)c2ccccc2C1=O.O=C1CCC(=O)N1.O=C1CCCN1.O=C1CCS(=O)(=O)N1.O=C1CNC(=O)N1.O=C1NC(=O)N2CCCC12.O=C1NCCN1.O=C1NCCO1.O=C1NCNc2ccccc21.O=C1NCOc2ccccc21.O=S1(=O)CCCC1.O=S1(=O)CCCN1.c1ccc2c(c1)CCO2.

What is the InChIKey of 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide?

The InChIKey is JHIGQNRPVYCSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2.C10H12O2.C8H8N2O.C8H7NO2.C8H15NO.C8H8O.C7H13NO2.C6H8N2O2.C6H13N.C6H12O.C5H12N2.C5H11N.C5H10O.C5H8O.C4H10N2.C4H5NO2.C4H9NO.C4H7NO.C4H9N.C4H8O2S.C4H8O.C4H8S.C3H4N2O2.C3H6N2O.C3H8N2.C3H6N2.C3H5NO3S.C3H7NO2S.C3H5NO2.C3H7N.C3H6O2.27C2H6/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14;1-7(2)10-11-8-5-3-4-6-9(8)12-10;11-8-6-3-1-2-4-7(6)9-5-10-8;10-8-6-3-1-2-4-7(6)11-5-9-8;1-4-9-5-2-8(1)3-6-10-7-8;1-2-4-8-7(3-1)5-6-9-8;1-3-8-4-2-7(1)9-5-6-10-7;9-5-4-2-1-3-8(4)6(10)7-5;2*1-2-4-6-7-5-3-1;1-2-6-4-5-7-3-1;3*1-2-4-6-5-3-1;1-2-6-4-3-5-1;6-3-1-2-4(7)5-3;1-3-6-4-2-5-1;6-4-2-1-3-5-4;1-2-4-5-3-1;5-7(6)3-1-2-4-7;2*1-2-4-5-3-1;6-2-1-4-3(7)5-2;6-3-4-1-2-5-3;2*1-2-5-3-4-1;5-3-1-2-8(6,7)4-3;5-7(6)3-1-2-4-7;5-3-4-1-2-6-3;1-2-4-3-1;1-2-5-3-4-1;27*1-2/h3-7H,1-2H3;3-7,10H,1-2H3;1-4,9H,5H2,(H,10,11);1-4H,5H2,(H,9,10);9H,1-7H2;1-4H,5-6H2;8H,1-6H2;4H,1-3H2,(H,7,9,10);7H,1-6H2;1-6H2;6-7H,1-5H2;6H,1-5H2;1-5H2;2,4H,1,3,5H2;5-6H,1-4H2;1-2H2,(H,5,6,7);5H,1-4H2;1-3H2,(H,5,6);5H,1-4H2;1-4H2;2*1-4H2;1H2,(H2,4,5,6,7);1-2H2,(H2,4,5,6);4-5H,1-3H2;1-2,4-5H,3H2;1-2H2,(H,4,5);4H,1-3H2;1-2H2,(H,4,5);4H,1-3H2;1-3H2;27*1-2H3.

What are the key properties of 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide?

5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide has a molecular weight of 4074.19 g/mol, XLogP of 36.86, 2 rotatable bonds, 28 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;azepane;azetidine;1,4-diazepane;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazin-4-one;2,3-dihydro-1H-imidazole;3,4-dihydro-2H-pyran;2,3-dihydro-1H-quinazolin-4-one;1,4-dioxa-8-azaspiro[4.5]decane;1,3-dioxolane;1,1-dioxo-1,2-thiazolidin-3-one;ethane;imidazolidine;imidazolidine-2,4-dione;imidazolidin-2-one;morpholine;2-oxa-8-azaspiro[4.5]decane;oxane;1,3-oxazolidin-2-one;oxepane;oxolane;piperazine;piperidine;2-propan-2-yl-1,3-benzodioxole;2-propan-2-ylisoindole-1,3-dione;pyrrolidine;pyrrolidine-2,5-dione;pyrrolidin-2-one;1,2-thiazolidine 1,1-dioxide;thiolane;thiolane 1,1-dioxide is sourced from PubChem (CID 158916814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).