1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione

C13H14N2O2 — CID 11264715

IUPAC1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESO=C1CCC2N1CC(=O)N2Cc1ccccc1
InChIInChI=1S/C13H14N2O2/c16-12-7-6-11-14(13(17)9-15(11)12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyDGYLCNVWDTVZNK-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.98
Rot. Bonds2

About 1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione

1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (PubChem CID 11264715) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
PubChem CID11264715
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
SMILESO=C1CCC2N1CC(=O)N2Cc1ccccc1
InChIInChI=1S/C13H14N2O2/c16-12-7-6-11-14(13(17)9-15(11)12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyDGYLCNVWDTVZNK-UHFFFAOYSA-N
XLogP0.98
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-1-benzyl-5-(3,7-dimethylindol-1-yl)pyrrolidin-2-one
CID 139258811
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
2-[(7aR)-2,5-dioxo-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazol-1-yl]acetamide
CID 92846644
(5S)-1-benzyl-5-[(2R)-oxiran-2-yl]pyrrolidin-2-one
CID 18641408
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
5-(2-aminoethyl)-1-benzylpyrrolidin-2-one
CID 53415041
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539
1-benzyl-5-(3H-indol-1-ium-3-yl)pyrrolidin-2-one
CID 134942203
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
(5S)-1-benzyl-5-(1,1-dihydroxyethyl)pyrrolidin-2-one
CID 22845684
1-benzyl-5-[(dimethylamino)methyl]pyrrolidin-2-one
CID 14129470

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The IUPAC name of 1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione (CID 11264715) is 1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione.
What is the SMILES notation for 1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The canonical SMILES for 1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is O=C1CCC2N1CC(=O)N2Cc1ccccc1.
What is the InChIKey of 1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
The InChIKey is DGYLCNVWDTVZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12-7-6-11-14(13(17)9-15(11)12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione?
1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione has a molecular weight of 230.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione is sourced from PubChem (CID 11264715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).