(6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

C13H14N2O3 — CID 122385359

IUPAC(6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESCN1C(=O)N2C[C@H](O)C[C@]2(c2ccccc2)C1=O
InChIInChI=1S/C13H14N2O3/c1-14-11(17)13(9-5-3-2-4-6-9)7-10(16)8-15(13)12(14)18/h2-6,10,16H,7-8H2,1H3/t10-,13+/m1/s1
InChIKeyHFWOUZHYDDFESG-MFKMUULPSA-N
MW246.27 g/mol
LogP0.54
Rot. Bonds1

About (6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione

(6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 122385359) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name(6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID122385359
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
SMILESCN1C(=O)N2C[C@H](O)C[C@]2(c2ccccc2)C1=O
InChIInChI=1S/C13H14N2O3/c1-14-11(17)13(9-5-3-2-4-6-9)7-10(16)8-15(13)12(14)18/h2-6,10,16H,7-8H2,1H3/t10-,13+/m1/s1
InChIKeyHFWOUZHYDDFESG-MFKMUULPSA-N
XLogP0.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.54
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 (6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of (6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione (CID 122385359) is (6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for (6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for (6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is CN1C(=O)N2C[C@H](O)C[C@]2(c2ccccc2)C1=O.
What is the InChIKey of (6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is HFWOUZHYDDFESG-MFKMUULPSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-14-11(17)13(9-5-3-2-4-6-9)7-10(16)8-15(13)12(14)18/h2-6,10,16H,7-8H2,1H3/t10-,13+/m1/s1.
What are the key properties of (6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione?
(6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 246.27 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7aS)-6-hydroxy-2-methyl-7a-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 122385359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).