3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione

C7H10N2O2 — CID 10103355

IUPAC3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC1C(=O)NC2CCC(=O)N21
InChIInChI=1S/C7H10N2O2/c1-4-7(11)8-5-2-3-6(10)9(4)5/h4-5H,2-3H2,1H3,(H,8,11)
InChIKeyBMNZZISUHSFNQX-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.55
Rot. Bonds

About 3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione

3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione (PubChem CID 10103355) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione.

Molecular Properties

Compound Name3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
PubChem CID10103355
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC1C(=O)NC2CCC(=O)N21
InChIInChI=1S/C7H10N2O2/c1-4-7(11)8-5-2-3-6(10)9(4)5/h4-5H,2-3H2,1H3,(H,8,11)
InChIKeyBMNZZISUHSFNQX-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

Analyze 3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione?
The IUPAC name of 3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione (CID 10103355) is 3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione.
What is the SMILES notation for 3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione?
The canonical SMILES for 3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione is CC1C(=O)NC2CCC(=O)N21.
What is the InChIKey of 3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione?
The InChIKey is BMNZZISUHSFNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-7(11)8-5-2-3-6(10)9(4)5/h4-5H,2-3H2,1H3,(H,8,11).
What are the key properties of 3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione?
3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[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 3-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione is sourced from PubChem (CID 10103355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).