2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide

C15H15N3O3 — CID 3831398

IUPAC2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H15N3O3/c1-2-10-16-13(19)11-21-14-8-9-15(20)18(17-14)12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,16,19)
InChIKeyCWNCYLNAOOHTPW-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.91
Rot. Bonds6

About 2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide

2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide (PubChem CID 3831398) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide
PubChem CID3831398
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide
SMILESC=CCNC(=O)COc1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C15H15N3O3/c1-2-10-16-13(19)11-21-14-8-9-15(20)18(17-14)12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,16,19)
InChIKeyCWNCYLNAOOHTPW-UHFFFAOYSA-N
XLogP0.91
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide?
The IUPAC name of 2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide (CID 3831398) is 2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide?
The canonical SMILES for 2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide is C=CCNC(=O)COc1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide?
The InChIKey is CWNCYLNAOOHTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-2-10-16-13(19)11-21-14-8-9-15(20)18(17-14)12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,16,19).
What are the key properties of 2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide?
2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide has a molecular weight of 285.30 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide is sourced from PubChem (CID 3831398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).