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

C13H15N3O5 — CID 175306239

IUPAC(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate
SMILESCc1cc(OC(N)=O)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C13H15N3O5/c1-7-6-8(21-12(14)19)11(18)16-9(7)10(17)15-13(16)2-4-20-5-3-13/h6H,2-5H2,1H3,(H2,14,19)(H,15,17)
InChIKeyAQRHTPVIOGIVQW-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.18
Rot. Bonds1

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

(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate (PubChem CID 175306239) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is (8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate.

Molecular Properties

Compound Name(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate
PubChem CID175306239
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate
SMILESCc1cc(OC(N)=O)c(=O)n2c1C(=O)NC21CCOCC1
InChIInChI=1S/C13H15N3O5/c1-7-6-8(21-12(14)19)11(18)16-9(7)10(17)15-13(16)2-4-20-5-3-13/h6H,2-5H2,1H3,(H2,14,19)(H,15,17)
InChIKeyAQRHTPVIOGIVQW-UHFFFAOYSA-N
XLogP-0.18
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate?
The IUPAC name of (8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate (CID 175306239) is (8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate.
What is the SMILES notation for (8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate?
The canonical SMILES for (8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate is Cc1cc(OC(N)=O)c(=O)n2c1C(=O)NC21CCOCC1.
What is the InChIKey of (8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate?
The InChIKey is AQRHTPVIOGIVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-7-6-8(21-12(14)19)11(18)16-9(7)10(17)15-13(16)2-4-20-5-3-13/h6H,2-5H2,1H3,(H2,14,19)(H,15,17).
What are the key properties of (8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate?
(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate has a molecular weight of 293.28 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,4'-oxane]-6-yl) carbamate is sourced from PubChem (CID 175306239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).