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

C37H55N11O10 — CID 161378121

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

4,6-bis(hydroxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4,6-bis(methoxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3-bis(prop-2-enyl)-3a,4,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione (PubChem CID 161378121) has the molecular formula C37H55N11O10 and a molecular weight of 813.91 g/mol. Its IUPAC name is 4,6-bis(hydroxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4,6-bis(methoxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3-bis(prop-2-enyl)-3a,4,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione.

Molecular Properties

• Compound Name: 4,6-bis(hydroxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4,6-bis(methoxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3-bis(prop-2-enyl)-3a,4,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione
• PubChem CID: 161378121
• Molecular Formula: C37H55N11O10
• Molecular Weight: 813.91 g/mol
• Exact Mass: 813.41
• IUPAC Name: 4,6-bis(hydroxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4,6-bis(methoxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3-bis(prop-2-enyl)-3a,4,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione
• SMILES: C=CCN1C(=O)N(CC=C)C2C1N(CO)C(=O)N2CO.C=CCN1C(=O)N(CC=C)C2C1N(COC)C(=O)N2COC.C=CCN1C(=O)N(CC=C)C2NC(=O)CC21
• InChI: InChI=1S/C14H22N4O4.C12H18N4O4.C11H15N3O2/c1-5-7-15-11-12(16(8-6-2)13(15)19)18(10-22-4)14(20)17(11)9-21-3;1-3-5-13-9-10(14(6-4-2)11(13)19)16(8-18)12(20)15(9)7-17;1-3-5-13-8-7-9(15)12-10(8)14(6-4-2)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,12,15)
• InChIKey: VRISVVJTAAVULT-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 4,6-bis(hydroxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4,6-bis(methoxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3-bis(prop-2-enyl)-3a,4,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione?

The IUPAC name of 4,6-bis(hydroxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4,6-bis(methoxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3-bis(prop-2-enyl)-3a,4,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione (CID 161378121) is 4,6-bis(hydroxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4,6-bis(methoxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3-bis(prop-2-enyl)-3a,4,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione.

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

The canonical SMILES for 4,6-bis(hydroxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4,6-bis(methoxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3-bis(prop-2-enyl)-3a,4,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione is C=CCN1C(=O)N(CC=C)C2C1N(CO)C(=O)N2CO.C=CCN1C(=O)N(CC=C)C2C1N(COC)C(=O)N2COC.C=CCN1C(=O)N(CC=C)C2NC(=O)CC21.

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

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

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

4,6-bis(hydroxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4,6-bis(methoxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3-bis(prop-2-enyl)-3a,4,6,6a-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 4,6-bis(hydroxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;4,6-bis(methoxymethyl)-1,3-bis(prop-2-enyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione;1,3-bis(prop-2-enyl)-3a,4,6,6a-tetrahydropyrrolo[2,3-d]imidazole-2,5-dione is sourced from PubChem (CID 161378121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).