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

C9H14N4O2 — CID 122583259

IUPAC3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESC=CCN1C(=O)NC2(C)NC(=O)NC12C
InChIInChI=1S/C9H14N4O2/c1-4-5-13-7(15)12-8(2)9(13,3)11-6(14)10-8/h4H,1,5H2,2-3H3,(H,12,15)(H2,10,11,14)
InChIKeyQVLKTAAZGCNICS-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.06
Rot. Bonds2

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

3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (PubChem CID 122583259) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
PubChem CID122583259
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione
SMILESC=CCN1C(=O)NC2(C)NC(=O)NC12C
InChIInChI=1S/C9H14N4O2/c1-4-5-13-7(15)12-8(2)9(13,3)11-6(14)10-8/h4H,1,5H2,2-3H3,(H,12,15)(H2,10,11,14)
InChIKeyQVLKTAAZGCNICS-UHFFFAOYSA-N
XLogP-0.06
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.06
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 3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione (CID 122583259) is 3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is C=CCN1C(=O)NC2(C)NC(=O)NC12C.
What is the InChIKey of 3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is QVLKTAAZGCNICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-4-5-13-7(15)12-8(2)9(13,3)11-6(14)10-8/h4H,1,5H2,2-3H3,(H,12,15)(H2,10,11,14).
What are the key properties of 3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione?
3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 210.24 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,6a-dimethyl-4-prop-2-enyl-3,6-dihydro-1H-imidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 122583259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).