4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione

C7H8N2O3 — CID 58815501

IUPAC4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione
SMILESCC(=O)Cc1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C7H8N2O3/c1-4(10)2-5-3-6(11)8-9-7(5)12/h3H,2H2,1H3,(H,8,11)(H,9,12)
InChIKeyFKRUWWZWXPWBAP-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.81
Rot. Bonds2

About 4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione

4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione (PubChem CID 58815501) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione
PubChem CID58815501
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione
SMILESCC(=O)Cc1cc(=O)[nH][nH]c1=O
InChIInChI=1S/C7H8N2O3/c1-4(10)2-5-3-6(11)8-9-7(5)12/h3H,2H2,1H3,(H,8,11)(H,9,12)
InChIKeyFKRUWWZWXPWBAP-UHFFFAOYSA-N
XLogP-0.81
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione (CID 58815501) is 4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione is CC(=O)Cc1cc(=O)[nH][nH]c1=O.
What is the InChIKey of 4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione?
The InChIKey is FKRUWWZWXPWBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4(10)2-5-3-6(11)8-9-7(5)12/h3H,2H2,1H3,(H,8,11)(H,9,12).
What are the key properties of 4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione?
4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione has a molecular weight of 168.15 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopropyl)-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 58815501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).