tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate

C12H18N2O3 — CID 90196242

IUPACtert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1ccccc1=O
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)13-7-9-14-8-5-4-6-10(14)15/h4-6,8H,7,9H2,1-3H3,(H,13,16)
InChIKeyXSVKZDGJQDZHOZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.37
Rot. Bonds3

About tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate

tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate (PubChem CID 90196242) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate
PubChem CID90196242
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nametert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCn1ccccc1=O
InChIInChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)13-7-9-14-8-5-4-6-10(14)15/h4-6,8H,7,9H2,1-3H3,(H,13,16)
InChIKeyXSVKZDGJQDZHOZ-UHFFFAOYSA-N
XLogP1.37
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate (CID 90196242) is tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate is CC(C)(C)OC(=O)NCCn1ccccc1=O.
What is the InChIKey of tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate?
The InChIKey is XSVKZDGJQDZHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-12(2,3)17-11(16)13-7-9-14-8-5-4-6-10(14)15/h4-6,8H,7,9H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate?
tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate has a molecular weight of 238.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-oxo-1-pyridinyl)ethyl]carbamate is sourced from PubChem (CID 90196242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).