3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

C13H18N4O2 — CID 122583273

IUPAC3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESC=CCN1C(=O)N(CC=C)C2(CC=C)NC(=O)NC12
InChIInChI=1S/C13H18N4O2/c1-4-7-13-10(14-11(18)15-13)16(8-5-2)12(19)17(13)9-6-3/h4-6,10H,1-3,7-9H2,(H2,14,15,18)
InChIKeyFOIMSYMMFQDIML-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.01
Rot. Bonds6

About 3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione

3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 122583273) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID122583273
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESC=CCN1C(=O)N(CC=C)C2(CC=C)NC(=O)NC12
InChIInChI=1S/C13H18N4O2/c1-4-7-13-10(14-11(18)15-13)16(8-5-2)12(19)17(13)9-6-3/h4-6,10H,1-3,7-9H2,(H2,14,15,18)
InChIKeyFOIMSYMMFQDIML-UHFFFAOYSA-N
XLogP1.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 122583273) is 3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is C=CCN1C(=O)N(CC=C)C2(CC=C)NC(=O)NC12.
What is the InChIKey of 3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is FOIMSYMMFQDIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-4-7-13-10(14-11(18)15-13)16(8-5-2)12(19)17(13)9-6-3/h4-6,10H,1-3,7-9H2,(H2,14,15,18).
What are the key properties of 3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 262.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,6-tris(prop-2-enyl)-3,6a-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 122583273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).