4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

C10H14N4O2 — CID 102191828

IUPAC4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESC=CCN1C(=O)N(CC=C)C2NC(=O)NC21
InChIInChI=1S/C10H14N4O2/c1-3-5-13-7-8(12-9(15)11-7)14(6-4-2)10(13)16/h3-4,7-8H,1-2,5-6H2,(H2,11,12,15)
InChIKeyQYDOSIUACUHJHT-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.06
Rot. Bonds4

About 4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 102191828) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID102191828
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESC=CCN1C(=O)N(CC=C)C2NC(=O)NC21
InChIInChI=1S/C10H14N4O2/c1-3-5-13-7-8(12-9(15)11-7)14(6-4-2)10(13)16/h3-4,7-8H,1-2,5-6H2,(H2,11,12,15)
InChIKeyQYDOSIUACUHJHT-UHFFFAOYSA-N
XLogP0.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.06
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 4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 102191828) is 4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is C=CCN1C(=O)N(CC=C)C2NC(=O)NC21.
What is the InChIKey of 4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is QYDOSIUACUHJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-5-13-7-8(12-9(15)11-7)14(6-4-2)10(13)16/h3-4,7-8H,1-2,5-6H2,(H2,11,12,15).
What are the key properties of 4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 222.25 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(prop-2-enyl)-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 102191828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).