tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate

C11H16N2O3 — CID 15185799

IUPACtert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate
SMILESCn1cc(NC(=O)OC(C)(C)C)ccc1=O
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)12-8-5-6-9(14)13(4)7-8/h5-7H,1-4H3,(H,12,15)
InChIKeyTUNKVCCQMMXCGI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.73
Rot. Bonds1

About tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate

tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate (PubChem CID 15185799) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate
PubChem CID15185799
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nametert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate
SMILESCn1cc(NC(=O)OC(C)(C)C)ccc1=O
InChIInChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)12-8-5-6-9(14)13(4)7-8/h5-7H,1-4H3,(H,12,15)
InChIKeyTUNKVCCQMMXCGI-UHFFFAOYSA-N
XLogP1.73
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate?
The IUPAC name of tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate (CID 15185799) is tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate?
The canonical SMILES for tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate is Cn1cc(NC(=O)OC(C)(C)C)ccc1=O.
What is the InChIKey of tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate?
The InChIKey is TUNKVCCQMMXCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)12-8-5-6-9(14)13(4)7-8/h5-7H,1-4H3,(H,12,15).
What are the key properties of tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate?
tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate has a molecular weight of 224.26 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-methyl-6-oxo-3-pyridinyl)carbamate is sourced from PubChem (CID 15185799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).