2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione

C11H11ClN2O2 — CID 175768734

IUPAC2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
SMILESO=C1c2cccc(=O)n2C2(CCCC2)N1Cl
InChIInChI=1S/C11H11ClN2O2/c12-14-10(16)8-4-3-5-9(15)13(8)11(14)6-1-2-7-11/h3-5H,1-2,6-7H2
InChIKeyVNIJLLWAWWBZCC-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.68
Rot. Bonds

About 2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione

2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione (PubChem CID 175768734) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione.

Molecular Properties

Compound Name2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
PubChem CID175768734
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione
SMILESO=C1c2cccc(=O)n2C2(CCCC2)N1Cl
InChIInChI=1S/C11H11ClN2O2/c12-14-10(16)8-4-3-5-9(15)13(8)11(14)6-1-2-7-11/h3-5H,1-2,6-7H2
InChIKeyVNIJLLWAWWBZCC-UHFFFAOYSA-N
XLogP1.68
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The IUPAC name of 2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione (CID 175768734) is 2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione.
What is the SMILES notation for 2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The canonical SMILES for 2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione is O=C1c2cccc(=O)n2C2(CCCC2)N1Cl.
What is the InChIKey of 2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
The InChIKey is VNIJLLWAWWBZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-14-10(16)8-4-3-5-9(15)13(8)11(14)6-1-2-7-11/h3-5H,1-2,6-7H2.
What are the key properties of 2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione?
2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione has a molecular weight of 238.67 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-chlorospiro[cyclopentane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione is sourced from PubChem (CID 175768734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).