(3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione

C15H24N4O4 — CID 10734773

IUPAC(3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)N(C)[C@]2(C)N(C)C(=O)N(C(=O)C(C)(C)C)[C@]12C
InChIInChI=1S/C15H24N4O4/c1-9(20)18-11(22)16(7)14(5)15(18,6)19(12(23)17(14)8)10(21)13(2,3)4/h1-8H3/t14-,15+/m1/s1
InChIKeyMUWPREURBYOGDI-CABCVRRESA-N
MW324.38 g/mol
LogP1.27
Rot. Bonds

About (3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione

(3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 10734773) has the molecular formula C15H24N4O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is (3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name(3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione
PubChem CID10734773
Molecular FormulaC15H24N4O4
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name(3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione
SMILESCC(=O)N1C(=O)N(C)[C@]2(C)N(C)C(=O)N(C(=O)C(C)(C)C)[C@]12C
InChIInChI=1S/C15H24N4O4/c1-9(20)18-11(22)16(7)14(5)15(18,6)19(12(23)17(14)8)10(21)13(2,3)4/h1-8H3/t14-,15+/m1/s1
InChIKeyMUWPREURBYOGDI-CABCVRRESA-N
XLogP1.27
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3aS,6aR)-3-acetyl-4-(4-chlorobenzoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione
CID 101177354
methyl 3-[(3aR,6aS)-3-acetyl-1,3a,6,6a-tetramethyl-2,5-bis(sulfanylidene)imidazo[4,5-d]imidazol-4-yl]-3-oxopropanoate
CID 102379266
1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one
CID 169318639
1-(5-amino-3-methylpyrazol-1-yl)-2,2-dimethylpropan-1-one
CID 110460709
3-(2,2-dimethylpropanoyl)-1H-pyrimidine-2,4-dione
CID 178052350
tert-butyl (2S)-1,2,4-trimethyl-6-oxo-1,3-diazinane-2-carboxylate
CID 151926495
1-acetyl-5,5-dimethylpyrrolidin-2-one
CID 144885705
methyl 7a-tert-butyl-1,2,2,3,3-pentamethylimidazo[1,2-b][1,2]oxazole-7-carboxylate
CID 11493107
1-[(2R,5R)-4-acetyl-2,5-dihydroxy-2,5-bis(trifluoromethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 130456590
(4R,5R)-1,3-diacetyl-4,5-ditert-butylimidazolidin-2-one
CID 101119809
(2R,3R,4R)-3-acetyl-1,2,4-trimethyl-6-oxopiperidine-2-carbonitrile
CID 11868463
1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750038

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of (3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione (CID 10734773) is (3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for (3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for (3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione is CC(=O)N1C(=O)N(C)[C@]2(C)N(C)C(=O)N(C(=O)C(C)(C)C)[C@]12C.
What is the InChIKey of (3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is MUWPREURBYOGDI-CABCVRRESA-N. The full InChI is InChI=1S/C15H24N4O4/c1-9(20)18-11(22)16(7)14(5)15(18,6)19(12(23)17(14)8)10(21)13(2,3)4/h1-8H3/t14-,15+/m1/s1.
What are the key properties of (3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione?
(3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 324.38 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-3-acetyl-4-(2,2-dimethylpropanoyl)-1,3a,6,6a-tetramethylimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 10734773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).