3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one

C15H17N3O2 — CID 10333396

IUPAC3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one
SMILESCc1cc(C2=NNC(=O)CC2)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C15H17N3O2/c1-8-6-9(11-4-5-12(19)18-17-11)7-10-13(8)16-14(20)15(10,2)3/h6-7H,4-5H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPPFWMTCAACGKTF-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.84
Rot. Bonds1

About 3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one

3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one (PubChem CID 10333396) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one
PubChem CID10333396
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one
SMILESCc1cc(C2=NNC(=O)CC2)cc2c1NC(=O)C2(C)C
InChIInChI=1S/C15H17N3O2/c1-8-6-9(11-4-5-12(19)18-17-11)7-10-13(8)16-14(20)15(10,2)3/h6-7H,4-5H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyPPFWMTCAACGKTF-UHFFFAOYSA-N
XLogP1.84
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one?
The IUPAC name of 3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one (CID 10333396) is 3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one.
What is the SMILES notation for 3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one?
The canonical SMILES for 3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one is Cc1cc(C2=NNC(=O)CC2)cc2c1NC(=O)C2(C)C.
What is the InChIKey of 3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one?
The InChIKey is PPFWMTCAACGKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-8-6-9(11-4-5-12(19)18-17-11)7-10-13(8)16-14(20)15(10,2)3/h6-7H,4-5H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one?
3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7-trimethyl-5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-1H-indol-2-one is sourced from PubChem (CID 10333396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).