tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate

C15H20N2O3 — CID 169467597

IUPACtert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate
SMILESCC(=O)c1cccc(C=CCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H20N2O3/c1-11(18)13-9-5-7-12(17-13)8-6-10-16-14(19)20-15(2,3)4/h5-9H,10H2,1-4H3,(H,16,19)
InChIKeyHRRCQYKAOWZVMQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate

tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate (PubChem CID 169467597) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate
PubChem CID169467597
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate
SMILESCC(=O)c1cccc(C=CCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H20N2O3/c1-11(18)13-9-5-7-12(17-13)8-6-10-16-14(19)20-15(2,3)4/h5-9H,10H2,1-4H3,(H,16,19)
InChIKeyHRRCQYKAOWZVMQ-UHFFFAOYSA-N
XLogP2.82
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169466951
tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169468523
tert-butyl N-[3-(3-amino-6-fluoro-2-pyridinyl)prop-2-enyl]carbamate
CID 169467128
methyl 3-[(E)-3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 171809039
tert-butyl N-[3-(3-amino-6-methoxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169467480
4-(6-acetyl-2-pyridinyl)but-3-enamide
CID 170798002
methyl 3-(6-acetyl-2-pyridinyl)prop-2-enoate
CID 169479066
tert-butyl N-[3-(5-aminopyrazin-2-yl)prop-2-enyl]carbamate
CID 169467001
tert-butyl N-[3-(4-oxo-1H-pyridin-3-yl)prop-2-enyl]carbamate
CID 169466990
methyl 2-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]phenyl]acetate
CID 169468041
tert-butyl N-[3-(3-propanoylphenyl)prop-2-enyl]carbamate
CID 169467804
tert-butyl N-[3-[3-(methylaminomethyl)phenyl]prop-2-enyl]carbamate
CID 169467521

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate (CID 169467597) is tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate is CC(=O)c1cccc(C=CCNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate?
The InChIKey is HRRCQYKAOWZVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(18)13-9-5-7-12(17-13)8-6-10-16-14(19)20-15(2,3)4/h5-9H,10H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate?
tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169467597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).