6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione

C12H10N2O4 — CID 138713069

IUPAC6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione
SMILESC=Cc1ccc2c(c1)C(=O)C1(O)NC(=O)NC21O
InChIInChI=1S/C12H10N2O4/c1-2-6-3-4-8-7(5-6)9(15)12(18)11(8,17)13-10(16)14-12/h2-5,17-18H,1H2,(H2,13,14,16)
InChIKeyAMEVMZKDGYSGNM-UHFFFAOYSA-N
MW246.22 g/mol
LogP-0.33
Rot. Bonds1

About 6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione

6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione (PubChem CID 138713069) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione.

Molecular Properties

Compound Name6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione
PubChem CID138713069
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione
SMILESC=Cc1ccc2c(c1)C(=O)C1(O)NC(=O)NC21O
InChIInChI=1S/C12H10N2O4/c1-2-6-3-4-8-7(5-6)9(15)12(18)11(8,17)13-10(16)14-12/h2-5,17-18H,1H2,(H2,13,14,16)
InChIKeyAMEVMZKDGYSGNM-UHFFFAOYSA-N
XLogP-0.33
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione?
The IUPAC name of 6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione (CID 138713069) is 6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione.
What is the SMILES notation for 6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione?
The canonical SMILES for 6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione is C=Cc1ccc2c(c1)C(=O)C1(O)NC(=O)NC21O.
What is the InChIKey of 6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione?
The InChIKey is AMEVMZKDGYSGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c1-2-6-3-4-8-7(5-6)9(15)12(18)11(8,17)13-10(16)14-12/h2-5,17-18H,1H2,(H2,13,14,16).
What are the key properties of 6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione?
6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione has a molecular weight of 246.22 g/mol, XLogP of -0.33, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3a,8b-dihydroxy-1,3-dihydroindeno[1,2-d]imidazole-2,4-dione is sourced from PubChem (CID 138713069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).