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

C10H10N2O3S — CID 134831476

IUPAC(7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1[C@@H]2[C@@H](O)CCN2C(=O)N1c1cccs1
InChIInChI=1S/C10H10N2O3S/c13-6-3-4-11-8(6)9(14)12(10(11)15)7-2-1-5-16-7/h1-2,5-6,8,13H,3-4H2/t6-,8-/m0/s1
InChIKeyYZBICNYUBXFDDO-XPUUQOCRSA-N
MW238.27 g/mol
LogP0.65
Rot. Bonds1

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

(7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 134831476) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is (7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name(7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID134831476
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name(7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1[C@@H]2[C@@H](O)CCN2C(=O)N1c1cccs1
InChIInChI=1S/C10H10N2O3S/c13-6-3-4-11-8(6)9(14)12(10(11)15)7-2-1-5-16-7/h1-2,5-6,8,13H,3-4H2/t6-,8-/m0/s1
InChIKeyYZBICNYUBXFDDO-XPUUQOCRSA-N
XLogP0.65
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(7aS)-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 102035527
(5S)-5-[(1R)-1-hydroxyethyl]-3-thiophen-2-ylimidazolidine-2,4-dione
CID 102035530
2-Thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 16660250
CID 179141616
CID 179141616

Frequently Asked Questions

What is the IUPAC name of (7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of (7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 134831476) is (7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for (7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for (7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1[C@@H]2[C@@H](O)CCN2C(=O)N1c1cccs1.
What is the InChIKey of (7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is YZBICNYUBXFDDO-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-6-3-4-11-8(6)9(14)12(10(11)15)7-2-1-5-16-7/h1-2,5-6,8,13H,3-4H2/t6-,8-/m0/s1.
What are the key properties of (7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
(7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 238.27 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,7aS)-7-hydroxy-2-thiophen-2-yl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 134831476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).