3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one

C11H12N2O — CID 89128660

IUPAC3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one
SMILESCc1cc(C2=CC=CCC2)n[nH]c1=O
InChIInChI=1S/C11H12N2O/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9/h2-3,5,7H,4,6H2,1H3,(H,13,14)
InChIKeyGIIKEXHXYJASJW-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.81
Rot. Bonds1

About 3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one

3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one (PubChem CID 89128660) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one
PubChem CID89128660
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one
SMILESCc1cc(C2=CC=CCC2)n[nH]c1=O
InChIInChI=1S/C11H12N2O/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9/h2-3,5,7H,4,6H2,1H3,(H,13,14)
InChIKeyGIIKEXHXYJASJW-UHFFFAOYSA-N
XLogP1.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one (CID 89128660) is 3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one is Cc1cc(C2=CC=CCC2)n[nH]c1=O.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one?
The InChIKey is GIIKEXHXYJASJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-7-10(12-13-11(8)14)9-5-3-2-4-6-9/h2-3,5,7H,4,6H2,1H3,(H,13,14).
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one?
3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one has a molecular weight of 188.23 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 89128660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).