benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate

C15H14ClN3O2 — CID 169472638

IUPACbenzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(Cl)nn1)OCc1ccccc1
InChIInChI=1S/C15H14ClN3O2/c16-14-9-8-13(18-19-14)7-4-10-17-15(20)21-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,17,20)
InChIKeyWVTWCMSITHMTQT-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.07
Rot. Bonds5

About benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate

benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate (PubChem CID 169472638) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
PubChem CID169472638
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Namebenzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(Cl)nn1)OCc1ccccc1
InChIInChI=1S/C15H14ClN3O2/c16-14-9-8-13(18-19-14)7-4-10-17-15(20)21-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,17,20)
InChIKeyWVTWCMSITHMTQT-UHFFFAOYSA-N
XLogP3.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-(6-methoxypyridazin-3-yl)prop-2-enyl]carbamate
CID 169471276
benzyl N-[3-(5-methyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169471077
benzyl N-[3-(6-chloro-3-hydroxy-2-pyridinyl)prop-2-enyl]carbamate
CID 169472695
benzyl N-(3-quinolin-2-ylprop-2-enyl)carbamate
CID 169471802
tert-butyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate
CID 169468523
benzyl N-[3-(2-chloro-3-pyridinyl)prop-2-enyl]carbamate
CID 169471062
benzyl N-[(E)-4-aminobut-2-enyl]carbamate
CID 146295191
benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 169471365
benzyl N-[3-(2,4-dichloropyrimidin-5-yl)prop-2-enyl]carbamate
CID 169471267
benzyl N-[3-(3-chloro-4-pyridinyl)prop-2-enyl]carbamate
CID 169471067
benzyl N-(3-pyrimidin-5-ylprop-2-enyl)carbamate
CID 169470986
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate (CID 169472638) is benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(Cl)nn1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate?
The InChIKey is WVTWCMSITHMTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-14-9-8-13(18-19-14)7-4-10-17-15(20)21-11-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,17,20).
What are the key properties of benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate?
benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate has a molecular weight of 303.75 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(6-chloropyridazin-3-yl)prop-2-enyl]carbamate is sourced from PubChem (CID 169472638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).