(3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one

C13H14N2O2 — CID 95988537

IUPAC(3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one
SMILESCC(=O)C1=C(C)[C@@H](c2ccccc2)NNC1=O
InChIInChI=1S/C13H14N2O2/c1-8-11(9(2)16)13(17)15-14-12(8)10-6-4-3-5-7-10/h3-7,12,14H,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyPSJWIJILCXTRTJ-LBPRGKRZSA-N
MW230.27 g/mol
LogP1.27
Rot. Bonds2

About (3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one

(3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one (PubChem CID 95988537) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name(3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one
PubChem CID95988537
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one
SMILESCC(=O)C1=C(C)[C@@H](c2ccccc2)NNC1=O
InChIInChI=1S/C13H14N2O2/c1-8-11(9(2)16)13(17)15-14-12(8)10-6-4-3-5-7-10/h3-7,12,14H,1-2H3,(H,15,17)/t12-/m0/s1
InChIKeyPSJWIJILCXTRTJ-LBPRGKRZSA-N
XLogP1.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one?
The IUPAC name of (3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one (CID 95988537) is (3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for (3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one?
The canonical SMILES for (3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one is CC(=O)C1=C(C)[C@@H](c2ccccc2)NNC1=O.
What is the InChIKey of (3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one?
The InChIKey is PSJWIJILCXTRTJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-11(9(2)16)13(17)15-14-12(8)10-6-4-3-5-7-10/h3-7,12,14H,1-2H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one?
(3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one has a molecular weight of 230.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-acetyl-4-methyl-3-phenyl-2,3-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 95988537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).