tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate

C13H18N2O3 — CID 169466991

IUPACtert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-9-5-7-10-6-4-8-14-11(10)16/h4-8H,9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXNADEMATLYDGKU-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.91
Rot. Bonds3

About tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate (PubChem CID 169466991) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
PubChem CID169466991
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nametert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-9-5-7-10-6-4-8-14-11(10)16/h4-8H,9H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXNADEMATLYDGKU-UHFFFAOYSA-N
XLogP1.91
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate (CID 169466991) is tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1ccc[nH]c1=O.
What is the InChIKey of tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
The InChIKey is XNADEMATLYDGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-9-5-7-10-6-4-8-14-11(10)16/h4-8H,9H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169466991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).