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

C17H23N3O5 — CID 118604480

IUPACtert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C17H23N3O5/c1-10-9-11(18-15(23)25-16(2,3)4)14(22)20-12(10)13(21)19-17(20)5-7-24-8-6-17/h9H,5-8H2,1-4H3,(H,18,23)(H,19,21)
InChIKeyKXXRNGXZMCXDNH-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.71
Rot. Bonds1

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

tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate (PubChem CID 118604480) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate
PubChem CID118604480
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Nametert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate
SMILESCc1cc(NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C17H23N3O5/c1-10-9-11(18-15(23)25-16(2,3)4)14(22)20-12(10)13(21)19-17(20)5-7-24-8-6-17/h9H,5-8H2,1-4H3,(H,18,23)(H,19,21)
InChIKeyKXXRNGXZMCXDNH-UHFFFAOYSA-N
XLogP1.71
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate 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
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
tert-butyl N-[(3S)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate
CID 139465059
tert-butyl N-[(3R)-1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl]carbamate
CID 139479913
tert-butyl N-(1',8-dimethyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,3'-piperidine]-6-yl)carbamate
CID 139479914
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
(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate
CID 175306239

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate?
The IUPAC name of tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate (CID 118604480) is tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate.
What is the SMILES notation for tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate?
The canonical SMILES for tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate is Cc1cc(NC(=O)OC(C)(C)C)c(=O)n2c1C(=O)NC21CCOCC1.
What is the InChIKey of tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate?
The InChIKey is KXXRNGXZMCXDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-10-9-11(18-15(23)25-16(2,3)4)14(22)20-12(10)13(21)19-17(20)5-7-24-8-6-17/h9H,5-8H2,1-4H3,(H,18,23)(H,19,21).
What are the key properties of tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate?
tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate has a molecular weight of 349.39 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl)carbamate is sourced from PubChem (CID 118604480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).