tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid

C17H23N3O5 — CID 139367390

IUPACtert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid
SMILESCc1cc(N(C(=O)O)C(C)(C)C)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C17H23N3O5/c1-10-9-11(19(15(23)24)16(2,3)4)14(22)20-12(10)13(21)18-17(20)5-7-25-8-6-17/h9H,5-8H2,1-4H3,(H,18,21)(H,23,24)
InChIKeyVLHDVXWNRKBDMG-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.65
Rot. Bonds1

About tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid

tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid (PubChem CID 139367390) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid
PubChem CID139367390
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Nametert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid
SMILESCc1cc(N(C(=O)O)C(C)(C)C)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C17H23N3O5/c1-10-9-11(19(15(23)24)16(2,3)4)14(22)20-12(10)13(21)18-17(20)5-7-25-8-6-17/h9H,5-8H2,1-4H3,(H,18,21)(H,23,24)
InChIKeyVLHDVXWNRKBDMG-UHFFFAOYSA-N
XLogP1.65
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid with MolForge

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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
(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
8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 150104789
6-iodo-8-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-1,5-dione
CID 166877665

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid?
The IUPAC name of tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid (CID 139367390) is tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid.
What is the SMILES notation for tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid?
The canonical SMILES for tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid is Cc1cc(N(C(=O)O)C(C)(C)C)c(=O)n2c1C(=O)NC21CCOCC1.
What is the InChIKey of tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid?
The InChIKey is VLHDVXWNRKBDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-10-9-11(19(15(23)24)16(2,3)4)14(22)20-12(10)13(21)18-17(20)5-7-25-8-6-17/h9H,5-8H2,1-4H3,(H,18,21)(H,23,24).
What are the key properties of tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid?
tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid has a molecular weight of 349.39 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamic acid is sourced from PubChem (CID 139367390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).