6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one

C11H14N2O2 — CID 164638868

IUPAC6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one
SMILESCC(=O)[C@H](C)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C11H14N2O2/c1-7(8(2)14)13-11(15)6-5-10(12-13)9-3-4-9/h5-7,9H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyPKKXKMVQVGKPII-ZETCQYMHSA-N
MW206.24 g/mol
LogP1.27
Rot. Bonds3

About 6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one

6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one (PubChem CID 164638868) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one
PubChem CID164638868
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one
SMILESCC(=O)[C@H](C)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C11H14N2O2/c1-7(8(2)14)13-11(15)6-5-10(12-13)9-3-4-9/h5-7,9H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyPKKXKMVQVGKPII-ZETCQYMHSA-N
XLogP1.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one (CID 164638868) is 6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one is CC(=O)[C@H](C)n1nc(C2CC2)ccc1=O.
What is the InChIKey of 6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one?
The InChIKey is PKKXKMVQVGKPII-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(8(2)14)13-11(15)6-5-10(12-13)9-3-4-9/h5-7,9H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of 6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one?
6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one has a molecular weight of 206.24 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[(2S)-3-oxobutan-2-yl]pyridazin-3-one is sourced from PubChem (CID 164638868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).