tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate

C13H17FN2O2 — CID 169466948

IUPACtert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cncc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-13(2,3)18-12(17)16-6-4-5-10-7-11(14)9-15-8-10/h4-5,7-9H,6H2,1-3H3,(H,16,17)
InChIKeyVAIHQKPAOYZMDB-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.76
Rot. Bonds3

About tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate

tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169466948) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate
PubChem CID169466948
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Nametert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCC=Cc1cncc(F)c1
InChIInChI=1S/C13H17FN2O2/c1-13(2,3)18-12(17)16-6-4-5-10-7-11(14)9-15-8-10/h4-5,7-9H,6H2,1-3H3,(H,16,17)
InChIKeyVAIHQKPAOYZMDB-UHFFFAOYSA-N
XLogP2.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]pyridine-3-carboxylic acid
CID 169467897
tert-butyl N-[(E)-3-(4-fluorophenyl)prop-2-enyl]carbamate
CID 102440441
tert-butyl N-[3-[3-fluoro-5-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467398
tert-butyl N-[3-(3-cyano-5-fluorophenyl)prop-2-enyl]carbamate
CID 169467509
tert-butyl N-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169468397
tert-butyl N-[3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enyl]carbamate
CID 169467876
tert-butyl N-[3-(1H-imidazo[4,5-b]pyridin-6-yl)prop-2-enyl]carbamate
CID 169467653
tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
CID 169467631
tert-butyl N-[3-(2,3,5,6-tetrafluorophenyl)prop-2-enyl]carbamate
CID 169467729
2-fluoro-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoic acid
CID 169467747
tert-butyl N-[4-[5-(hydroxymethyl)-3-pyridinyl]but-3-enyl]carbamate
CID 170490205
tert-butyl N-[3-(5-fluoro-2-hydroxy-3-methylphenyl)prop-2-enyl]carbamate
CID 169468695

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate (CID 169466948) is tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate is CC(C)(C)OC(=O)NCC=Cc1cncc(F)c1.
What is the InChIKey of tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is VAIHQKPAOYZMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-13(2,3)18-12(17)16-6-4-5-10-7-11(14)9-15-8-10/h4-5,7-9H,6H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 252.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-fluoro-3-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169466948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).