tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate

C13H18N2O4 — CID 169467243

IUPACtert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1c[nH]c(=O)c(O)c1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)14-6-4-5-9-7-10(16)11(17)15-8-9/h4-5,7-8,16H,6H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyGQVAEMDQLRNJKG-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.62
Rot. Bonds3

About tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate

tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate (PubChem CID 169467243) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
PubChem CID169467243
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nametert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1c[nH]c(=O)c(O)c1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)14-6-4-5-9-7-10(16)11(17)15-8-9/h4-5,7-8,16H,6H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyGQVAEMDQLRNJKG-UHFFFAOYSA-N
XLogP1.62
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]-1H-indole-3-carboxylic acid
CID 169468298
tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
CID 169467631
tert-butyl N-[3-(3-chloro-5-formylphenyl)prop-2-enyl]carbamate
CID 169467394
2-methyl-2-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]propanoic acid
CID 169468334
3-bromo-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoic acid
CID 169468607
tert-butyl N-[3-(3,4,5-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169468365
tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate
CID 169467653
tert-butyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467097
(E)-3-[4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]prop-2-enoic acid
CID 169468034
tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
CID 169466990
2-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoic acid
CID 169467747

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate (CID 169467243) is tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1c[nH]c(=O)c(O)c1.
What is the InChIKey of tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
The InChIKey is GQVAEMDQLRNJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)14-6-4-5-9-7-10(16)11(17)15-8-9/h4-5,7-8,16H,6H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate?
tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-hydroxy-6-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).