2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one

C11H16N2O — CID 46900341

IUPAC2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one
SMILESCc1c2c(nn1C)CC(C)(C)CC2=O
InChIInChI=1S/C11H16N2O/c1-7-10-8(12-13(7)4)5-11(2,3)6-9(10)14/h5-6H2,1-4H3
InChIKeyXJAMTTVKIWPDEB-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.88
Rot. Bonds

About 2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one

2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one (PubChem CID 46900341) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one
PubChem CID46900341
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one
SMILESCc1c2c(nn1C)CC(C)(C)CC2=O
InChIInChI=1S/C11H16N2O/c1-7-10-8(12-13(7)4)5-11(2,3)6-9(10)14/h5-6H2,1-4H3
InChIKeyXJAMTTVKIWPDEB-UHFFFAOYSA-N
XLogP1.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Hydroxyethyl)-3-Methyl-6,7-Dihydro-5~{h}-Indazol-4-One
CID 660882
1-Methyl-1,5,6,7-tetrahydro-4H-indazol-4-one
CID 2765796
ethyl (3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetate
CID 950072
6,6,9-trimethyl-5,6,7-trihydro-4H-pyrazolidino[1,2-a]indazol-8-one, bromide
CID 659158
1,2-Diethyl-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindazolium iodide
CID 9550227
1,3-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 14126679
1-(propan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 19371779
2-Methyl-2,5,6,7-tetrahydro-4H-indazol-4-one
CID 24853638
2,3-dimethyl-6,7-dihydro-5H-indazol-4-one
CID 68059397
3-(7-Bromo-3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)propanenitrile
CID 162652153
Cambridge id 5220612
CID 749823
1-Acetyl-6,6-dimethyl-3-propyl-5,7-dihydroindazol-4-one
CID 24178158

Frequently Asked Questions

What is the IUPAC name of 2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one?
The IUPAC name of 2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one (CID 46900341) is 2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one?
The canonical SMILES for 2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one is Cc1c2c(nn1C)CC(C)(C)CC2=O.
What is the InChIKey of 2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one?
The InChIKey is XJAMTTVKIWPDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-10-8(12-13(7)4)5-11(2,3)6-9(10)14/h5-6H2,1-4H3.
What are the key properties of 2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one?
2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one has a molecular weight of 192.26 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,6-tetramethyl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 46900341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).