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

C14H20N2O3 — CID 170489943

IUPACtert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1c[nH]ccc1=O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-8-5-4-6-11-10-15-9-7-12(11)17/h4,6-7,9-10H,5,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyFGWDQPMMDIZLBV-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.30
Rot. Bonds4

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

tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate (PubChem CID 170489943) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate
PubChem CID170489943
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nametert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC=Cc1c[nH]ccc1=O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-8-5-4-6-11-10-15-9-7-12(11)17/h4,6-7,9-10H,5,8H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyFGWDQPMMDIZLBV-UHFFFAOYSA-N
XLogP2.30
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
CID 169466990
tert-butyl N-[4-(5-aminonaphthalen-1-yl)but-3-enyl]carbamate
CID 170491208
tert-butyl N-[4-(2,6-dihydroxyphenyl)but-3-enyl]carbamate
CID 170490025
tert-butyl N-[4-(2,6-diformylphenyl)but-3-enyl]carbamate
CID 170490740
tert-butyl N-[2-(1H-pyrrol-3-yl)ethyl]carbamate
CID 141041637
tert-butyl N-[4-(2-formyl-4-hydroxyphenyl)but-3-enyl]carbamate
CID 170490295
tert-butyl N-[4-(5-chloro-2-methylphenyl)but-3-enyl]carbamate
CID 170489959
2-chloro-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzoic acid
CID 170490709
2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]benzoic acid
CID 170491050
tert-butyl N-[4-[2-fluoro-3-(hydroxymethyl)phenyl]but-3-enyl]carbamate
CID 170490347
tert-butyl N-[4-(2,4-dioxo-1H-3,1-benzoxazin-5-yl)but-3-enyl]carbamate
CID 170491275
tert-butyl N-[4-(2-amino-5-bromophenyl)but-3-enyl]carbamate
CID 170491530

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate?
The IUPAC name of tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate (CID 170489943) is tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate is CC(C)(C)OC(=O)NCCC=Cc1c[nH]ccc1=O.
What is the InChIKey of tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate?
The InChIKey is FGWDQPMMDIZLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)19-13(18)16-8-5-4-6-11-10-15-9-7-12(11)17/h4,6-7,9-10H,5,8H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate?
tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4-oxo-1H-pyridin-3-yl)but-3-enyl]carbamate is sourced from PubChem (CID 170489943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).