(4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C17H20N2O — CID 71576775

IUPAC(4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(C2=CCCCC2)cc1
InChIInChI=1S/C17H20N2O/c1-12-11-16(20)18-19-17(12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h5,7-10,12H,2-4,6,11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyRWJFZUHSIDOUFQ-GFCCVEGCSA-N
MW268.36 g/mol
LogP3.50
Rot. Bonds2

About (4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

(4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 71576775) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID71576775
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESC[C@@H]1CC(=O)NN=C1c1ccc(C2=CCCCC2)cc1
InChIInChI=1S/C17H20N2O/c1-12-11-16(20)18-19-17(12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h5,7-10,12H,2-4,6,11H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyRWJFZUHSIDOUFQ-GFCCVEGCSA-N
XLogP3.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of (4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 71576775) is (4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is C[C@@H]1CC(=O)NN=C1c1ccc(C2=CCCCC2)cc1.
What is the InChIKey of (4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is RWJFZUHSIDOUFQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-11-16(20)18-19-17(12)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h5,7-10,12H,2-4,6,11H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of (4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
(4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 268.36 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[4-(cyclohexen-1-yl)phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 71576775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).