(4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one

C14H18N2O — CID 71576729

IUPAC(4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCc1ccc(C2=NNC(=O)C[C@H]2C)cc1
InChIInChI=1S/C14H18N2O/c1-3-4-11-5-7-12(8-6-11)14-10(2)9-13(17)15-16-14/h5-8,10H,3-4,9H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyGGQXMXCEYBFZJC-SNVBAGLBSA-N
MW230.31 g/mol
LogP2.50
Rot. Bonds3

About (4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one

(4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 71576729) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID71576729
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCCCc1ccc(C2=NNC(=O)C[C@H]2C)cc1
InChIInChI=1S/C14H18N2O/c1-3-4-11-5-7-12(8-6-11)14-10(2)9-13(17)15-16-14/h5-8,10H,3-4,9H2,1-2H3,(H,15,17)/t10-/m1/s1
InChIKeyGGQXMXCEYBFZJC-SNVBAGLBSA-N
XLogP2.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one (CID 71576729) is (4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one is CCCc1ccc(C2=NNC(=O)C[C@H]2C)cc1.
What is the InChIKey of (4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is GGQXMXCEYBFZJC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O/c1-3-4-11-5-7-12(8-6-11)14-10(2)9-13(17)15-16-14/h5-8,10H,3-4,9H2,1-2H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one?
(4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 230.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3-(4-propylphenyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 71576729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).