tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate

C11H16N2O3 — CID 73010463

IUPACtert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-7-8-4-5-9(14)12-6-8/h4-6H,7H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyJZGBJFCTRGGRMU-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.40
Rot. Bonds2

About tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate

tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate (PubChem CID 73010463) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate
PubChem CID73010463
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nametert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(=O)[nH]c1
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-7-8-4-5-9(14)12-6-8/h4-6H,7H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyJZGBJFCTRGGRMU-UHFFFAOYSA-N
XLogP1.40
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate (CID 73010463) is tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(=O)[nH]c1.
What is the InChIKey of tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate?
The InChIKey is JZGBJFCTRGGRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-7-8-4-5-9(14)12-6-8/h4-6H,7H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate?
tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate has a molecular weight of 224.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6-oxo-1H-pyridin-3-yl)methyl]carbamate is sourced from PubChem (CID 73010463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).