3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione

C37H55N11O10 — CID 158449691

About 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione

3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione (PubChem CID 158449691) has the molecular formula C37H55N11O10 and a molecular weight of 813.91 g/mol. Its IUPAC name is 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione.

Molecular Properties

• Compound Name: 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione
• PubChem CID: 158449691
• Molecular Formula: C37H55N11O10
• Molecular Weight: 813.91 g/mol
• Exact Mass: 813.41
• IUPAC Name: 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione
• SMILES: C=CCN1C(=O)N(CO)C2C1N(CO)C(=O)N2CC=C.C=CCN1C(=O)N(COC)C2C1N(COC)C(=O)N2CC=C.C=CCN1C(=O)NC2C1CC(=O)N2CC=C
• InChI: InChI=1S/C14H22N4O4.C12H18N4O4.C11H15N3O2/c1-5-7-15-11-12(18(10-22-4)13(15)19)16(8-6-2)14(20)17(11)9-21-3;1-3-5-13-9-10(16(8-18)11(13)19)14(6-4-2)12(20)15(9)7-17;1-3-5-13-8-7-9(15)14(6-4-2)10(8)12-11(13)16/h5-6,11-12H,1-2,7-10H2,3-4H3;3-4,9-10,17-18H,1-2,5-8H2;3-4,8,10H,1-2,5-7H2,(H,12,16)
• InChIKey: HDVCXSFBFMAFEG-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 205.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	813.91
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione?

The IUPAC name of 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione (CID 158449691) is 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione.

What is the SMILES notation for 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione?

The canonical SMILES for 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione is C=CCN1C(=O)N(CO)C2C1N(CO)C(=O)N2CC=C.C=CCN1C(=O)N(COC)C2C1N(COC)C(=O)N2CC=C.C=CCN1C(=O)NC2C1CC(=O)N2CC=C.

What is the InChIKey of 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione?

The InChIKey is HDVCXSFBFMAFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4.C12H18N4O4.C11H15N3O2/c1-5-7-15-11-12(18(10-22-4)13(15)19)16(8-6-2)14(20)17(11)9-21-3;1-3-5-13-9-10(16(8-18)11(13)19)14(6-4-2)12(20)15(9)7-17;1-3-5-13-8-7-9(15)14(6-4-2)10(8)12-11(13)16/h5-6,11-12H,1-2,7-10H2,3-4H3;3-4,9-10,17-18H,1-2,5-8H2;3-4,8,10H,1-2,5-7H2,(H,12,16).

What are the key properties of 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione?

3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione has a molecular weight of 813.91 g/mol, XLogP of 0.39, 18 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis(hydroxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;3,6-bis(methoxymethyl)-1,4-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,4-bis(prop-2-enyl)-3,3a,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione is sourced from PubChem (CID 158449691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).