tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate

C10H14N2O3 — CID 11138359

IUPACtert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKeyONCARVZCGINFRD-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.72
Rot. Bonds1

About tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate

tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate (PubChem CID 11138359) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate
PubChem CID11138359
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nametert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKeyONCARVZCGINFRD-UHFFFAOYSA-N
XLogP1.72
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate (CID 11138359) is tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate is CC(C)(C)OC(=O)Nc1ccc[nH]c1=O.
What is the InChIKey of tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate?
The InChIKey is ONCARVZCGINFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)15-9(14)12-7-5-4-6-11-8(7)13/h4-6H,1-3H3,(H,11,13)(H,12,14).
What are the key properties of tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate?
tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate has a molecular weight of 210.23 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-1H-pyridin-3-yl)carbamate is sourced from PubChem (CID 11138359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).