4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione

C7H10N4O2 — CID 69324879

IUPAC4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESC=CCN1C(=O)NC2NC(=O)NC21
InChIInChI=1S/C7H10N4O2/c1-2-3-11-5-4(9-7(11)13)8-6(12)10-5/h2,4-5H,1,3H2,(H,9,13)(H2,8,10,12)
InChIKeyHOPIJEYLOFKXJQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.84
Rot. Bonds2

About 4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione

4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 69324879) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID69324879
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESC=CCN1C(=O)NC2NC(=O)NC21
InChIInChI=1S/C7H10N4O2/c1-2-3-11-5-4(9-7(11)13)8-6(12)10-5/h2,4-5H,1,3H2,(H,9,13)(H2,8,10,12)
InChIKeyHOPIJEYLOFKXJQ-UHFFFAOYSA-N
XLogP-0.84
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
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 4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 69324879) is 4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione is C=CCN1C(=O)NC2NC(=O)NC21.
What is the InChIKey of 4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is HOPIJEYLOFKXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-2-3-11-5-4(9-7(11)13)8-6(12)10-5/h2,4-5H,1,3H2,(H,9,13)(H2,8,10,12).
What are the key properties of 4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 182.18 g/mol, XLogP of -0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 69324879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).