tert-butyl N-(2H-pyran-4-yl)carbamate

C10H15NO3 — CID 141106108

IUPACtert-butyl N-(2H-pyran-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=CCOC=C1
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(12)11-8-4-6-13-7-5-8/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyVESHDJMUXCLQJV-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.94
Rot. Bonds1

About tert-butyl N-(2H-pyran-4-yl)carbamate

tert-butyl N-(2H-pyran-4-yl)carbamate (PubChem CID 141106108) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is tert-butyl N-(2H-pyran-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2H-pyran-4-yl)carbamate
PubChem CID141106108
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nametert-butyl N-(2H-pyran-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1=CCOC=C1
InChIInChI=1S/C10H15NO3/c1-10(2,3)14-9(12)11-8-4-6-13-7-5-8/h4-6H,7H2,1-3H3,(H,11,12)
InChIKeyVESHDJMUXCLQJV-UHFFFAOYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2H-pyran-4-yl)carbamate?
The IUPAC name of tert-butyl N-(2H-pyran-4-yl)carbamate (CID 141106108) is tert-butyl N-(2H-pyran-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2H-pyran-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(2H-pyran-4-yl)carbamate is CC(C)(C)OC(=O)NC1=CCOC=C1.
What is the InChIKey of tert-butyl N-(2H-pyran-4-yl)carbamate?
The InChIKey is VESHDJMUXCLQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-10(2,3)14-9(12)11-8-4-6-13-7-5-8/h4-6H,7H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(2H-pyran-4-yl)carbamate?
tert-butyl N-(2H-pyran-4-yl)carbamate has a molecular weight of 197.23 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2H-pyran-4-yl)carbamate is sourced from PubChem (CID 141106108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).