2-(3-methoxy-2-oxopropyl)pyridazin-3-one

C8H10N2O3 — CID 107507756

IUPAC2-(3-methoxy-2-oxopropyl)pyridazin-3-one
SMILESCOCC(=O)Cn1ncccc1=O
InChIInChI=1S/C8H10N2O3/c1-13-6-7(11)5-10-8(12)3-2-4-9-10/h2-4H,5-6H2,1H3
InChIKeyKNWKWEUQTXALBY-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.54
Rot. Bonds4

About 2-(3-methoxy-2-oxopropyl)pyridazin-3-one

2-(3-methoxy-2-oxopropyl)pyridazin-3-one (PubChem CID 107507756) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(3-methoxy-2-oxopropyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-methoxy-2-oxopropyl)pyridazin-3-one
PubChem CID107507756
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(3-methoxy-2-oxopropyl)pyridazin-3-one
SMILESCOCC(=O)Cn1ncccc1=O
InChIInChI=1S/C8H10N2O3/c1-13-6-7(11)5-10-8(12)3-2-4-9-10/h2-4H,5-6H2,1H3
InChIKeyKNWKWEUQTXALBY-UHFFFAOYSA-N
XLogP-0.54
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The IUPAC name of 2-(3-methoxy-2-oxopropyl)pyridazin-3-one (CID 107507756) is 2-(3-methoxy-2-oxopropyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The canonical SMILES for 2-(3-methoxy-2-oxopropyl)pyridazin-3-one is COCC(=O)Cn1ncccc1=O.
What is the InChIKey of 2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
The InChIKey is KNWKWEUQTXALBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-6-7(11)5-10-8(12)3-2-4-9-10/h2-4H,5-6H2,1H3.
What are the key properties of 2-(3-methoxy-2-oxopropyl)pyridazin-3-one?
2-(3-methoxy-2-oxopropyl)pyridazin-3-one has a molecular weight of 182.18 g/mol, XLogP of -0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-oxopropyl)pyridazin-3-one is sourced from PubChem (CID 107507756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).