tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate

C10H15NO4 — CID 14409445

IUPACtert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=CC(=O)OC1
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-7-4-5-8(12)14-6-7/h4-5,7H,6H2,1-3H3,(H,11,13)
InChIKeyXAFFTECTADZLNW-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.99
Rot. Bonds1

About tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate

tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate (PubChem CID 14409445) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate
PubChem CID14409445
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nametert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=CC(=O)OC1
InChIInChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-7-4-5-8(12)14-6-7/h4-5,7H,6H2,1-3H3,(H,11,13)
InChIKeyXAFFTECTADZLNW-UHFFFAOYSA-N
XLogP0.99
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate (CID 14409445) is tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate is CC(C)(C)OC(=O)NC1C=CC(=O)OC1.
What is the InChIKey of tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate?
The InChIKey is XAFFTECTADZLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-10(2,3)15-9(13)11-7-4-5-8(12)14-6-7/h4-5,7H,6H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate?
tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate has a molecular weight of 213.23 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-oxo-2,3-dihydropyran-3-yl)carbamate is sourced from PubChem (CID 14409445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).