1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione

C13H14N2O2 — CID 11229971

IUPAC1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCc1ccc(N2C(=O)CN3C(=O)CCC32)cc1
InChIInChI=1S/C13H14N2O2/c1-9-2-4-10(5-3-9)15-11-6-7-12(16)14(11)8-13(15)17/h2-5,11H,6-8H2,1H3
InChIKeyIABKCVSRMMSOMZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.29
Rot. Bonds1

About 1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione

1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (PubChem CID 11229971) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.

Molecular Properties

Compound Name1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
PubChem CID11229971
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCc1ccc(N2C(=O)CN3C(=O)CCC32)cc1
InChIInChI=1S/C13H14N2O2/c1-9-2-4-10(5-3-9)15-11-6-7-12(16)14(11)8-13(15)17/h2-5,11H,6-8H2,1H3
InChIKeyIABKCVSRMMSOMZ-UHFFFAOYSA-N
XLogP1.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[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 1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The IUPAC name of 1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (CID 11229971) is 1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.
What is the SMILES notation for 1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The canonical SMILES for 1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is Cc1ccc(N2C(=O)CN3C(=O)CCC32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The InChIKey is IABKCVSRMMSOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-2-4-10(5-3-9)15-11-6-7-12(16)14(11)8-13(15)17/h2-5,11H,6-8H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione has a molecular weight of 230.27 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is sourced from PubChem (CID 11229971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).