tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate

C13H18N2O3 — CID 169466990

IUPACtert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1c[nH]ccc1=O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-7-4-5-10-9-14-8-6-11(10)16/h4-6,8-9H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyQANDJVZUWDIWES-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.91
Rot. Bonds3

About tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate (PubChem CID 169466990) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
PubChem CID169466990
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nametert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1c[nH]ccc1=O
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-7-4-5-10-9-14-8-6-11(10)16/h4-6,8-9H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyQANDJVZUWDIWES-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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Related Compounds

tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate
CID 170489943
tert-butyl N-[3-(2,3,4-trihydroxyphenyl)prop-2-enyl]carbamate
CID 169468710
methyl 2-amino-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 169468149
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467099
tert-butyl N-[3-(2-amino-3-fluorophenyl)prop-2-enyl]carbamate
CID 169467187
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzenesulfonic acid
CID 169468610
tert-butyl N-[3-(2,4-dioxo-1H-3,1-benzoxazin-5-yl)prop-2-enyl]carbamate
CID 169468312
tert-butyl N-[2-fluoro-3-oxo-3-[(4-oxo-1H-pyridin-3-yl)amino]propyl]carbamate
CID 146662629
tert-butyl N-[3-(3-chloro-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169468698
tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate
CID 141041637
tert-butyl N-[3-(5-chloro-2-hydroxyphenyl)prop-2-enyl]carbamate
CID 169467081

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate (CID 169466990) is tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1c[nH]ccc1=O.
What is the InChIKey of tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
The InChIKey is QANDJVZUWDIWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)18-12(17)15-7-4-5-10-9-14-8-6-11(10)16/h4-6,8-9H,7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(4-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-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169466990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).