6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

C12H13IN2O3 — CID 166877665

IUPAC6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCc1cc(I)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C12H13IN2O3/c1-7-6-8(13)11(17)15-9(7)10(16)14-12(15)2-4-18-5-3-12/h6H,2-5H2,1H3,(H,14,16)
InChIKeyVHEHYFVWNZGSPX-UHFFFAOYSA-N
MW360.15 g/mol
LogP0.97
Rot. Bonds

About 6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione

6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (PubChem CID 166877665) has the molecular formula C12H13IN2O3 and a molecular weight of 360.15 g/mol. Its IUPAC name is 6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.

Molecular Properties

Compound Name6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
PubChem CID166877665
Molecular FormulaC12H13IN2O3
Molecular Weight360.15 g/mol
Exact Mass360.00
IUPAC Name6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
SMILESCc1cc(I)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C12H13IN2O3/c1-7-6-8(13)11(17)15-9(7)10(16)14-12(15)2-4-18-5-3-12/h6H,2-5H2,1H3,(H,14,16)
InChIKeyVHEHYFVWNZGSPX-UHFFFAOYSA-N
XLogP0.97
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione;hydrochloride
CID 118598681
6-amino-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598682
6-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118598873
(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid
CID 118599026
tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate
CID 118604480
6,8-dimethylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 118613740
tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid
CID 139367390
8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 150104789
2'-bromo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 175793055

Frequently Asked Questions

What is the IUPAC name of 6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The IUPAC name of 6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione (CID 166877665) is 6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione.
What is the SMILES notation for 6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The canonical SMILES for 6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is Cc1cc(I)c(=O)n2c1C(=O)NC21CCOCC1.
What is the InChIKey of 6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
The InChIKey is VHEHYFVWNZGSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O3/c1-7-6-8(13)11(17)15-9(7)10(16)14-12(15)2-4-18-5-3-12/h6H,2-5H2,1H3,(H,14,16).
What are the key properties of 6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione?
6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione has a molecular weight of 360.15 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione is sourced from PubChem (CID 166877665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).