7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione

C7H8N2O3 — CID 24971864

IUPAC7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione
SMILESCC12CCC(=O)N1C(=O)NC2=O
InChIInChI=1S/C7H8N2O3/c1-7-3-2-4(10)9(7)6(12)8-5(7)11/h2-3H2,1H3,(H,8,11,12)
InChIKeyDHPDVLYWWSITSQ-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.38
Rot. Bonds

About 7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione

7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione (PubChem CID 24971864) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione.

Molecular Properties

Compound Name7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione
PubChem CID24971864
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione
SMILESCC12CCC(=O)N1C(=O)NC2=O
InChIInChI=1S/C7H8N2O3/c1-7-3-2-4(10)9(7)6(12)8-5(7)11/h2-3H2,1H3,(H,8,11,12)
InChIKeyDHPDVLYWWSITSQ-UHFFFAOYSA-N
XLogP-0.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione?
The IUPAC name of 7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione (CID 24971864) is 7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione.
What is the SMILES notation for 7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione?
The canonical SMILES for 7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione is CC12CCC(=O)N1C(=O)NC2=O.
What is the InChIKey of 7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione?
The InChIKey is DHPDVLYWWSITSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-7-3-2-4(10)9(7)6(12)8-5(7)11/h2-3H2,1H3,(H,8,11,12).
What are the key properties of 7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione?
7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione has a molecular weight of 168.15 g/mol, XLogP of -0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-6,7-dihydropyrrolo[1,2-c]imidazole-1,3,5-trione is sourced from PubChem (CID 24971864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).