tert-butyl N-(pyridin-2-ylmethyl)carbamate

C11H16N2O2 — CID 12069550

IUPACtert-butyl N-(pyridin-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccn1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyRKVWMMAKYQABGS-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.11
Rot. Bonds2

About tert-butyl N-(pyridin-2-ylmethyl)carbamate

tert-butyl N-(pyridin-2-ylmethyl)carbamate (PubChem CID 12069550) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is tert-butyl N-(pyridin-2-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(pyridin-2-ylmethyl)carbamate
PubChem CID12069550
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nametert-butyl N-(pyridin-2-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccn1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h4-7H,8H2,1-3H3,(H,13,14)
InChIKeyRKVWMMAKYQABGS-UHFFFAOYSA-N
XLogP2.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(pyridin-2-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(pyridin-2-ylmethyl)carbamate (CID 12069550) is tert-butyl N-(pyridin-2-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(pyridin-2-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(pyridin-2-ylmethyl)carbamate is CC(C)(C)OC(=O)NCc1ccccn1.
What is the InChIKey of tert-butyl N-(pyridin-2-ylmethyl)carbamate?
The InChIKey is RKVWMMAKYQABGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-8-9-6-4-5-7-12-9/h4-7H,8H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(pyridin-2-ylmethyl)carbamate?
tert-butyl N-(pyridin-2-ylmethyl)carbamate has a molecular weight of 208.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(pyridin-2-ylmethyl)carbamate is sourced from PubChem (CID 12069550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).