(3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one

C12H18N4O6 — CID 704971

IUPAC(3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
SMILESCN1C(=O)N(C)[C@H]2OC(C3O[C@@H]4[C@H](O3)N(C)C(=O)N4C)O[C@H]21
InChIInChI=1S/C12H18N4O6/c1-13-5-6(14(2)11(13)17)20-9(19-5)10-21-7-8(22-10)16(4)12(18)15(7)3/h5-10H,1-4H3/t5-,6+,7-,8+,9?,10?
InChIKeyXMFICYZJZLFAAI-QGPWORDESA-N
MW314.30 g/mol
LogP-0.97
Rot. Bonds1

About (3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one

(3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one (PubChem CID 704971) has the molecular formula C12H18N4O6 and a molecular weight of 314.30 g/mol. Its IUPAC name is (3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one.

Molecular Properties

Compound Name(3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
PubChem CID704971
Molecular FormulaC12H18N4O6
Molecular Weight314.30 g/mol
Exact Mass314.12
IUPAC Name(3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one
SMILESCN1C(=O)N(C)[C@H]2OC(C3O[C@@H]4[C@H](O3)N(C)C(=O)N4C)O[C@H]21
InChIInChI=1S/C12H18N4O6/c1-13-5-6(14(2)11(13)17)20-9(19-5)10-21-7-8(22-10)16(4)12(18)15(7)3/h5-10H,1-4H3/t5-,6+,7-,8+,9?,10?
InChIKeyXMFICYZJZLFAAI-QGPWORDESA-N
XLogP-0.97
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
The IUPAC name of (3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one (CID 704971) is (3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one.
What is the SMILES notation for (3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
The canonical SMILES for (3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one is CN1C(=O)N(C)[C@H]2OC(C3O[C@@H]4[C@H](O3)N(C)C(=O)N4C)O[C@H]21.
What is the InChIKey of (3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
The InChIKey is XMFICYZJZLFAAI-QGPWORDESA-N. The full InChI is InChI=1S/C12H18N4O6/c1-13-5-6(14(2)11(13)17)20-9(19-5)10-21-7-8(22-10)16(4)12(18)15(7)3/h5-10H,1-4H3/t5-,6+,7-,8+,9?,10?.
What are the key properties of (3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one?
(3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one has a molecular weight of 314.30 g/mol, XLogP of -0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-[(3aR,6aS)-4,6-dimethyl-5-oxo-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-2-yl]-4,6-dimethyl-3a,6a-dihydro-[1,3]dioxolo[4,5-d]imidazol-5-one is sourced from PubChem (CID 704971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).