(3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

C8H14N4O2 — CID 698690

IUPAC(3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N[C@@H]2[C@H]1NC(=O)N2CC
InChIInChI=1S/C8H14N4O2/c1-3-11-5-6(10-7(11)13)12(4-2)8(14)9-5/h5-6H,3-4H2,1-2H3,(H,9,14)(H,10,13)/t5-,6-/m0/s1
InChIKeyWMMCHYYFMLGMIA-WDSKDSINSA-N
MW198.23 g/mol
LogP-0.27
Rot. Bonds2

About (3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione

(3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 698690) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is (3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name(3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID698690
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name(3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N[C@@H]2[C@H]1NC(=O)N2CC
InChIInChI=1S/C8H14N4O2/c1-3-11-5-6(10-7(11)13)12(4-2)8(14)9-5/h5-6H,3-4H2,1-2H3,(H,9,14)(H,10,13)/t5-,6-/m0/s1
InChIKeyWMMCHYYFMLGMIA-WDSKDSINSA-N
XLogP-0.27
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione with MolForge

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Related Compounds

(3aR,6aS)-4-ethyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 702901
1,4-diethyl-1,3-diazetidin-2-one;ethane
CID 142054543
(3aR,6aR)-4,6-diethyl-2,2-dioxo-1,3,3a,6a-tetrahydroimidazo[4,5-c][1,2,5]thiadiazol-5-one
CID 1492482
1-ethyl-5-methylimidazolidine-2,4-dione
CID 19007953
1-ethyl-6-iodo-1,3-diazinan-2-one
CID 148908542
(4S,5S)-1-ethyl-3,3,4,5-tetramethylpyrrolidin-2-one
CID 59868894
(5R)-1-ethyl-5-methylpyrrolidin-2-one
CID 122427829
(3aS,4S,6aR)-3-ethyl-4-iodo-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-one
CID 87756713
6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 5150697
(3aS,6aS)-6-methyl-4-propyl-1,3,3a,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
CID 938527
5-amino-1-ethyl-6-methylpiperidin-2-one
CID 83682095
(3S,5aS,9aR)-4-ethyl-3-methyl-1,3,5a,6,7,8,9,9a-octahydrobenzo[e][1,4]diazepine-2,5-dione
CID 132915230

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of (3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 698690) is (3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for (3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for (3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is CCN1C(=O)N[C@@H]2[C@H]1NC(=O)N2CC.
What is the InChIKey of (3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is WMMCHYYFMLGMIA-WDSKDSINSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-11-5-6(10-7(11)13)12(4-2)8(14)9-5/h5-6H,3-4H2,1-2H3,(H,9,14)(H,10,13)/t5-,6-/m0/s1.
What are the key properties of (3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
(3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 198.23 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3,6-diethyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 698690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).