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

C15H15N3O2 — CID 3236540

IUPAC2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C15H15N3O2/c1-2-10-16-14(19)11-18-15(20)9-8-13(17-18)12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,16,19)
InChIKeyOJHAZSWMHOTJCA-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.21
Rot. Bonds5

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

2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide (PubChem CID 3236540) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide
PubChem CID3236540
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C15H15N3O2/c1-2-10-16-14(19)11-18-15(20)9-8-13(17-18)12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,16,19)
InChIKeyOJHAZSWMHOTJCA-UHFFFAOYSA-N
XLogP1.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide (CID 3236540) is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is OJHAZSWMHOTJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-2-10-16-14(19)11-18-15(20)9-8-13(17-18)12-6-4-3-5-7-12/h2-9H,1,10-11H2,(H,16,19).
What are the key properties of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide?
2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 269.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 3236540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).