7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid

C11H11N3O5 — CID 14258434

IUPAC7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid
SMILESO=C(O)C1Cc2[nH]cnc2C2(C(=O)O)CCC(=O)N12
InChIInChI=1S/C11H11N3O5/c15-7-1-2-11(10(18)19)8-5(12-4-13-8)3-6(9(16)17)14(7)11/h4,6H,1-3H2,(H,12,13)(H,16,17)(H,18,19)
InChIKeyLSPVHHUGRPIBDR-UHFFFAOYSA-N
MW265.22 g/mol
LogP-0.68
Rot. Bonds2

About 7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid

7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid (PubChem CID 14258434) has the molecular formula C11H11N3O5 and a molecular weight of 265.22 g/mol. Its IUPAC name is 7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid.

Molecular Properties

Compound Name7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid
PubChem CID14258434
Molecular FormulaC11H11N3O5
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Name7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid
SMILESO=C(O)C1Cc2[nH]cnc2C2(C(=O)O)CCC(=O)N12
InChIInChI=1S/C11H11N3O5/c15-7-1-2-11(10(18)19)8-5(12-4-13-8)3-6(9(16)17)14(7)11/h4,6H,1-3H2,(H,12,13)(H,16,17)(H,18,19)
InChIKeyLSPVHHUGRPIBDR-UHFFFAOYSA-N
XLogP-0.68
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid?
The IUPAC name of 7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid (CID 14258434) is 7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid.
What is the SMILES notation for 7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid?
The canonical SMILES for 7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid is O=C(O)C1Cc2[nH]cnc2C2(C(=O)O)CCC(=O)N12.
What is the InChIKey of 7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid?
The InChIKey is LSPVHHUGRPIBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O5/c15-7-1-2-11(10(18)19)8-5(12-4-13-8)3-6(9(16)17)14(7)11/h4,6H,1-3H2,(H,12,13)(H,16,17)(H,18,19).
What are the key properties of 7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid?
7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid has a molecular weight of 265.22 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-4,5,8,9-tetrahydro-3H-imidazo[4,5-g]indolizine-5,9a-dicarboxylic acid is sourced from PubChem (CID 14258434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).