(7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C10H10N2O2S — CID 102035527

IUPAC(7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1[C@@H]2CCCN2C(=O)N1c1cccs1
InChIInChI=1S/C10H10N2O2S/c13-9-7-3-1-5-11(7)10(14)12(9)8-4-2-6-15-8/h2,4,6-7H,1,3,5H2/t7-/m0/s1
InChIKeyCMUVNAQQUXRMCW-ZETCQYMHSA-N
MW222.27 g/mol
LogP1.68
Rot. Bonds1

About (7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

(7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 102035527) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is (7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name(7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID102035527
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name(7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1[C@@H]2CCCN2C(=O)N1c1cccs1
InChIInChI=1S/C10H10N2O2S/c13-9-7-3-1-5-11(7)10(14)12(9)8-4-2-6-15-8/h2,4,6-7H,1,3,5H2/t7-/m0/s1
InChIKeyCMUVNAQQUXRMCW-ZETCQYMHSA-N
XLogP1.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 130904490
(5S)-5-methyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 131070623
(7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 134831476
(5S)-5-(2-methylsulfanylethyl)-3-thiophen-2-ylimidazolidine-2,4-dione
CID 134856919
5-Butyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 16660097
2-thiophen-2-yl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 16660099
2-Thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 16660250
5-Methyl-3-thiophen-2-ylimidazolidine-2,4-dione
CID 16660255
1-Thiophen-2-yl-3,6,7,7a-tetrahydropyrrolo[1,2-a]imidazole-2,5-dione
CID 57718351
2-Thiophen-2-yl-5,6,7,8,9,9a-hexahydroimidazo[1,5-a]azepine-1,3-dione
CID 143445263
1,3-Dithiophen-2-ylimidazolidine-4,5-dione
CID 102080705
2-Thiophen-3-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 102323010

Frequently Asked Questions

What is the IUPAC name of (7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of (7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 102035527) is (7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for (7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for (7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1[C@@H]2CCCN2C(=O)N1c1cccs1.
What is the InChIKey of (7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is CMUVNAQQUXRMCW-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10N2O2S/c13-9-7-3-1-5-11(7)10(14)12(9)8-4-2-6-15-8/h2,4,6-7H,1,3,5H2/t7-/m0/s1.
What are the key properties of (7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
(7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 222.27 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 102035527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).