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

C13H14N2O2 — CID 11264716

IUPAC7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC12CCC(=O)N1CC(=O)N2c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-13-8-7-11(16)14(13)9-12(17)15(13)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyLPLDTTQBKJRREB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.37
Rot. Bonds1

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

7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione (PubChem CID 11264716) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione.

Molecular Properties

Compound Name7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione
PubChem CID11264716
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC12CCC(=O)N1CC(=O)N2c1ccccc1
InChIInChI=1S/C13H14N2O2/c1-13-8-7-11(16)14(13)9-12(17)15(13)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyLPLDTTQBKJRREB-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione?
The IUPAC name of 7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione (CID 11264716) is 7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione.
What is the SMILES notation for 7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione?
The canonical SMILES for 7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione is CC12CCC(=O)N1CC(=O)N2c1ccccc1.
What is the InChIKey of 7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione?
The InChIKey is LPLDTTQBKJRREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-13-8-7-11(16)14(13)9-12(17)15(13)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione?
7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione has a molecular weight of 230.27 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-1-phenyl-6,7-dihydro-3H-pyrrolo[1,2-a]imidazole-2,5-dione is sourced from PubChem (CID 11264716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).