N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C8H10ClN3O2 — CID 115636652

IUPACN-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=C(Cl)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H10ClN3O2/c1-5(9)4-10-8(14)6-2-3-7(13)12-11-6/h1-4H2,(H,10,14)(H,12,13)
InChIKeyUWWNHTXBUYVRFM-UHFFFAOYSA-N
MW215.64 g/mol
LogP0.12
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 115636652) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID115636652
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC NameN-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESC=C(Cl)CNC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H10ClN3O2/c1-5(9)4-10-8(14)6-2-3-7(13)12-11-6/h1-4H2,(H,10,14)(H,12,13)
InChIKeyUWWNHTXBUYVRFM-UHFFFAOYSA-N
XLogP0.12
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N,N-bis(prop-2-enyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397857
6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397890
1-methyl-6-oxo-N-prop-2-enyl-4,5-dihydropyridazine-3-carboxamide
CID 45859183
N-ethyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 78983157
N-methyl-6-oxo-N-prop-2-enyl-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 81815822
6-(Aminomethyl)-2-(2-chloroprop-2-enyl)-4,5-dihydropyridazin-3-one
CID 82506308
N-(3-methylbut-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 103528079
N-[(E)-4-aminobut-2-enyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 108115211
1-methyl-N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 114618304
N-(2-methylprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 114618685
N-(2-bromoprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 115594585
N-(2-chloroprop-2-enyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 115636434

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 115636652) is N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is C=C(Cl)CNC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is UWWNHTXBUYVRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-5(9)4-10-8(14)6-2-3-7(13)12-11-6/h1-4H2,(H,10,14)(H,12,13).
What are the key properties of N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 215.64 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 115636652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).