3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one

C10H14N2O — CID 155276835

IUPAC3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one
SMILESC=C(C)c1cc(C(C)C)n[nH]c1=O
InChIInChI=1S/C10H14N2O/c1-6(2)8-5-9(7(3)4)11-12-10(8)13/h5,7H,1H2,2-4H3,(H,12,13)
InChIKeyVNVOMHWFYNDLHL-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.93
Rot. Bonds2

About 3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one

3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one (PubChem CID 155276835) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one
PubChem CID155276835
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one
SMILESC=C(C)c1cc(C(C)C)n[nH]c1=O
InChIInChI=1S/C10H14N2O/c1-6(2)8-5-9(7(3)4)11-12-10(8)13/h5,7H,1H2,2-4H3,(H,12,13)
InChIKeyVNVOMHWFYNDLHL-UHFFFAOYSA-N
XLogP1.93
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one?
The IUPAC name of 3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one (CID 155276835) is 3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one is C=C(C)c1cc(C(C)C)n[nH]c1=O.
What is the InChIKey of 3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one?
The InChIKey is VNVOMHWFYNDLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6(2)8-5-9(7(3)4)11-12-10(8)13/h5,7H,1H2,2-4H3,(H,12,13).
What are the key properties of 3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one?
3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one has a molecular weight of 178.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-prop-1-en-2-yl-1H-pyridazin-6-one is sourced from PubChem (CID 155276835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).