tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen

C11H18N2O3 — CID 143810223

IUPACtert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen
SMILESCn1ccc(NC(=O)OC(C)(C)C)cc1=O.[H][H]
InChIInChI=1S/C11H16N2O3.H2/c1-11(2,3)16-10(15)12-8-5-6-13(4)9(14)7-8;/h5-7H,1-4H3,(H,12,15);1H
InChIKeyDCHOYYGUNYXYEX-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.98
Rot. Bonds1

About tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen

tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen (PubChem CID 143810223) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen.

Molecular Properties

Compound Nametert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen
PubChem CID143810223
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nametert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen
SMILESCn1ccc(NC(=O)OC(C)(C)C)cc1=O.[H][H]
InChIInChI=1S/C11H16N2O3.H2/c1-11(2,3)16-10(15)12-8-5-6-13(4)9(14)7-8;/h5-7H,1-4H3,(H,12,15);1H
InChIKeyDCHOYYGUNYXYEX-UHFFFAOYSA-N
XLogP1.98
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.98
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-2-oxo-4-pyridinyl)carbamate;molecular hydrogen?
The IUPAC name of tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen (CID 143810223) is tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen.
What is the SMILES notation for tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen?
The canonical SMILES for tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen is Cn1ccc(NC(=O)OC(C)(C)C)cc1=O.[H][H].
What is the InChIKey of tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen?
The InChIKey is DCHOYYGUNYXYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3.H2/c1-11(2,3)16-10(15)12-8-5-6-13(4)9(14)7-8;/h5-7H,1-4H3,(H,12,15);1H.
What are the key properties of tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen?
tert-butyl N-(1-methyl-2-oxo-4-pyridinyl)carbamate;molecular hydrogen has a molecular weight of 226.28 g/mol, XLogP of 1.98, 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-2-oxo-4-pyridinyl)carbamate;molecular hydrogen is sourced from PubChem (CID 143810223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).