2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one

C9H10N2O2 — CID 63913983

IUPAC2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)C1CC1
InChIInChI=1S/C9H10N2O2/c12-8(7-3-4-7)6-11-9(13)2-1-5-10-11/h1-2,5,7H,3-4,6H2
InChIKeyVHBJUVQRIXOTOJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.22
Rot. Bonds3

About 2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one

2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one (PubChem CID 63913983) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one
PubChem CID63913983
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)C1CC1
InChIInChI=1S/C9H10N2O2/c12-8(7-3-4-7)6-11-9(13)2-1-5-10-11/h1-2,5,7H,3-4,6H2
InChIKeyVHBJUVQRIXOTOJ-UHFFFAOYSA-N
XLogP0.22
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one?
The IUPAC name of 2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one (CID 63913983) is 2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one is O=C(Cn1ncccc1=O)C1CC1.
What is the InChIKey of 2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one?
The InChIKey is VHBJUVQRIXOTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c12-8(7-3-4-7)6-11-9(13)2-1-5-10-11/h1-2,5,7H,3-4,6H2.
What are the key properties of 2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one?
2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one has a molecular weight of 178.19 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-2-oxoethyl)pyridazin-3-one is sourced from PubChem (CID 63913983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).