4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one

C11H12N2O2 — CID 143873317

IUPAC4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one
SMILESC=Cc1cnn(CC(C)=O)c(=O)c1C=C
InChIInChI=1S/C11H12N2O2/c1-4-9-6-12-13(7-8(3)14)11(15)10(9)5-2/h4-6H,1-2,7H2,3H3
InChIKeyBTLFADYYDHEIFM-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.12
Rot. Bonds4

About 4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one

4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one (PubChem CID 143873317) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one
PubChem CID143873317
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one
SMILESC=Cc1cnn(CC(C)=O)c(=O)c1C=C
InChIInChI=1S/C11H12N2O2/c1-4-9-6-12-13(7-8(3)14)11(15)10(9)5-2/h4-6H,1-2,7H2,3H3
InChIKeyBTLFADYYDHEIFM-UHFFFAOYSA-N
XLogP1.12
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dimethyl-2-(2-oxopropyl)pyridazin-3-one
CID 22966720
5-Methyl-2-(2-oxopropyl)pyridazin-3-one
CID 57907520
ethane;2-[(2E)-2-ethenylpenta-2,4-dienyl]-5-methylpyridazin-3-one
CID 145299053
5-Methyl-2-(3-methyl-2-oxobutyl)pyridazin-3-one
CID 106548763
5-Methyl-2-(2-oxopentyl)pyridazin-3-one
CID 106548773
5-Methyl-2-(3-oxopentan-2-yl)pyridazin-3-one
CID 106548788
5-Methyl-2-(2-oxobutyl)pyridazin-3-one
CID 106548837
2-But-3-enyl-5-methylpyridazin-3-one
CID 130710582
2-[(2E)-2-ethenylpenta-2,4-dienyl]-5-methylpyridazin-3-one
CID 145299054

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one?
The IUPAC name of 4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one (CID 143873317) is 4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one is C=Cc1cnn(CC(C)=O)c(=O)c1C=C.
What is the InChIKey of 4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one?
The InChIKey is BTLFADYYDHEIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-4-9-6-12-13(7-8(3)14)11(15)10(9)5-2/h4-6H,1-2,7H2,3H3.
What are the key properties of 4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one?
4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one has a molecular weight of 204.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-(2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 143873317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).