tert-butyl N-(2-methyl-3-pyridinyl)carbamate

C11H16N2O2 — CID 68563825

IUPACtert-butyl N-(2-methyl-3-pyridinyl)carbamate
SMILESCc1ncccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H16N2O2/c1-8-9(6-5-7-12-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyRQLNGFJNDOYANP-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.74
Rot. Bonds1

About tert-butyl N-(2-methyl-3-pyridinyl)carbamate

tert-butyl N-(2-methyl-3-pyridinyl)carbamate (PubChem CID 68563825) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is tert-butyl N-(2-methyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-methyl-3-pyridinyl)carbamate
PubChem CID68563825
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nametert-butyl N-(2-methyl-3-pyridinyl)carbamate
SMILESCc1ncccc1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H16N2O2/c1-8-9(6-5-7-12-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,13,14)
InChIKeyRQLNGFJNDOYANP-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-methyl-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(2-methyl-3-pyridinyl)carbamate (CID 68563825) is tert-butyl N-(2-methyl-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-methyl-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(2-methyl-3-pyridinyl)carbamate is Cc1ncccc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-methyl-3-pyridinyl)carbamate?
The InChIKey is RQLNGFJNDOYANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-9(6-5-7-12-8)13-10(14)15-11(2,3)4/h5-7H,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-(2-methyl-3-pyridinyl)carbamate?
tert-butyl N-(2-methyl-3-pyridinyl)carbamate has a molecular weight of 208.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-methyl-3-pyridinyl)carbamate is sourced from PubChem (CID 68563825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).