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

C15H18N2O2 — CID 11288383

IUPAC1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC(C)c1ccc(N2C(=O)CN3C(=O)CCC32)cc1
InChIInChI=1S/C15H18N2O2/c1-10(2)11-3-5-12(6-4-11)17-13-7-8-14(18)16(13)9-15(17)19/h3-6,10,13H,7-9H2,1-2H3
InChIKeyMELSJYIFDQJVGE-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.11
Rot. Bonds2

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

1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (PubChem CID 11288383) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
PubChem CID11288383
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESCC(C)c1ccc(N2C(=O)CN3C(=O)CCC32)cc1
InChIInChI=1S/C15H18N2O2/c1-10(2)11-3-5-12(6-4-11)17-13-7-8-14(18)16(13)9-15(17)19/h3-6,10,13H,7-9H2,1-2H3
InChIKeyMELSJYIFDQJVGE-UHFFFAOYSA-N
XLogP2.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The IUPAC name of 1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (CID 11288383) is 1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is CC(C)c1ccc(N2C(=O)CN3C(=O)CCC32)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The InChIKey is MELSJYIFDQJVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)11-3-5-12(6-4-11)17-13-7-8-14(18)16(13)9-15(17)19/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is sourced from PubChem (CID 11288383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).