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

C8H10N4O4 — CID 712333

IUPAC(3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)N[C@@H]2[C@H]1NC(=O)N2C(C)=O
InChIInChI=1S/C8H10N4O4/c1-3(13)11-5-6(10-7(11)15)12(4(2)14)8(16)9-5/h5-6H,1-2H3,(H,9,16)(H,10,15)/t5-,6-/m0/s1
InChIKeyZUDDCMCOKPAHPV-WDSKDSINSA-N
MW226.19 g/mol
LogP-1.22
Rot. Bonds

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

(3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 712333) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is (3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name(3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID712333
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name(3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)N[C@@H]2[C@H]1NC(=O)N2C(C)=O
InChIInChI=1S/C8H10N4O4/c1-3(13)11-5-6(10-7(11)15)12(4(2)14)8(16)9-5/h5-6H,1-2H3,(H,9,16)(H,10,15)/t5-,6-/m0/s1
InChIKeyZUDDCMCOKPAHPV-WDSKDSINSA-N
XLogP-1.22
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2,6-diacetyl-2,4,6,8-tetrazabicyclo[3.3.1]nonane-3,7-dione
CID 2832048
2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
CID 56690032
(1R,3S,7R,9R)-2,8-diacetyl-2,4,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione
CID 95987832
(4S,5S)-1-acetyl-4-tert-butyl-5-methoxyimidazolidin-2-one
CID 101119798
(3aR,6aR)-3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 832248
3,6-diacetyl-1,4-dimethyl-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
CID 646967
4-acetyl-2,8-dioxa-4,6-diazatricyclo[7.4.0.03,7]tridecan-5-one
CID 101169448
(1R,2R,6S,7S)-3-acetyl-1,7,8,9,10,10-hexamethyl-3,5-diazatricyclo[5.2.1.02,6]dec-8-en-4-one
CID 102005518
(15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one
CID 15396395
1-acetyl-5-fluoropyrrolidin-2-one
CID 45085880
CID 89146118
CID 89146118
3,5-diacetyl-3,5-diazatricyclo[5.3.0.02,6]decan-4-one
CID 12710759

Frequently Asked Questions

What is the IUPAC name of (3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of (3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione (CID 712333) is (3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for (3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for (3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is CC(=O)N1C(=O)N[C@@H]2[C@H]1NC(=O)N2C(C)=O.
What is the InChIKey of (3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is ZUDDCMCOKPAHPV-WDSKDSINSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-3(13)11-5-6(10-7(11)15)12(4(2)14)8(16)9-5/h5-6H,1-2H3,(H,9,16)(H,10,15)/t5-,6-/m0/s1.
What are the key properties of (3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione?
(3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 226.19 g/mol, XLogP of -1.22, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aS)-3,6-diacetyl-1,3a,4,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 712333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).