7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione

C7H10N2O2 — CID 3079590

IUPAC7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC12CCC(=O)N1CC(=O)N2
InChIInChI=1S/C7H10N2O2/c1-7-3-2-6(11)9(7)4-5(10)8-7/h2-4H2,1H3,(H,8,10)
InChIKeyBBESFFLDQCUGQM-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.55
Rot. Bonds

About 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione

7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (PubChem CID 3079590) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.

Molecular Properties

Compound Name7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
PubChem CID3079590
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC12CCC(=O)N1CC(=O)N2
InChIInChI=1S/C7H10N2O2/c1-7-3-2-6(11)9(7)4-5(10)8-7/h2-4H2,1H3,(H,8,10)
InChIKeyBBESFFLDQCUGQM-UHFFFAOYSA-N
XLogP-0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The IUPAC name of 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (CID 3079590) is 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.
What is the SMILES notation for 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The canonical SMILES for 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is CC12CCC(=O)N1CC(=O)N2.
What is the InChIKey of 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The InChIKey is BBESFFLDQCUGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-7-3-2-6(11)9(7)4-5(10)8-7/h2-4H2,1H3,(H,8,10).
What are the key properties of 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione has a molecular weight of 154.17 g/mol, XLogP of -0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-1,3,6,7-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is sourced from PubChem (CID 3079590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).