2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide

C9H11N3O3 — CID 60636588

IUPAC2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H11N3O3/c1-2-5-10-8(14)6-12-9(15)4-3-7(13)11-12/h2-4H,1,5-6H2,(H,10,14)(H,11,13)
InChIKeyYKQGWPTUKGAQRO-UHFFFAOYSA-N
MW209.20 g/mol
LogP-1.16
Rot. Bonds4

About 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide

2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide (PubChem CID 60636588) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide
PubChem CID60636588
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C9H11N3O3/c1-2-5-10-8(14)6-12-9(15)4-3-7(13)11-12/h2-4H,1,5-6H2,(H,10,14)(H,11,13)
InChIKeyYKQGWPTUKGAQRO-UHFFFAOYSA-N
XLogP-1.16
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
Bis(aminoethylamino) ethyl maleamide
CID 129826976
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
2-hydrazinyl-2-oxo-N-(prop-2-en-1-yl)acetamide
CID 5150832
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
(E)-N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide
CID 20719136
N-but-2-enyl-2-hydrazinyl-2-oxoacetamide
CID 54278312
CID 58044780
CID 58044780
N-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]but-2-enamide
CID 73700978
N-[(E)-but-2-enyl]-2-hydrazinyl-2-oxoacetamide
CID 88527441
2-(2,5-dioxopyrrol-1-yl)-N'-methylacetohydrazide
CID 132082721
2-[2-(dimethylamino)ethyl]-1H-pyridazine-3,6-dione
CID 138715539

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide (CID 60636588) is 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide?
The InChIKey is YKQGWPTUKGAQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-2-5-10-8(14)6-12-9(15)4-3-7(13)11-12/h2-4H,1,5-6H2,(H,10,14)(H,11,13).
What are the key properties of 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide?
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide has a molecular weight of 209.20 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dioxo-1H-pyridazin-2-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 60636588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).