6-methoxy-1-propan-2-yl-2H-indazol-3-one

C11H14N2O2 — CID 105458890

IUPAC6-methoxy-1-propan-2-yl-2H-indazol-3-one
SMILESCOc1ccc2c(=O)[nH]n(C(C)C)c2c1
InChIInChI=1S/C11H14N2O2/c1-7(2)13-10-6-8(15-3)4-5-9(10)11(14)12-13/h4-7H,1-3H3,(H,12,14)
InChIKeyRLIJXCNTAPGCMD-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.92
Rot. Bonds2

About 6-methoxy-1-propan-2-yl-2H-indazol-3-one

6-methoxy-1-propan-2-yl-2H-indazol-3-one (PubChem CID 105458890) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-methoxy-1-propan-2-yl-2H-indazol-3-one.

Molecular Properties

Compound Name6-methoxy-1-propan-2-yl-2H-indazol-3-one
PubChem CID105458890
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name6-methoxy-1-propan-2-yl-2H-indazol-3-one
SMILESCOc1ccc2c(=O)[nH]n(C(C)C)c2c1
InChIInChI=1S/C11H14N2O2/c1-7(2)13-10-6-8(15-3)4-5-9(10)11(14)12-13/h4-7H,1-3H3,(H,12,14)
InChIKeyRLIJXCNTAPGCMD-UHFFFAOYSA-N
XLogP1.92
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-propan-2-yl-2H-indazol-3-one?
The IUPAC name of 6-methoxy-1-propan-2-yl-2H-indazol-3-one (CID 105458890) is 6-methoxy-1-propan-2-yl-2H-indazol-3-one.
What is the SMILES notation for 6-methoxy-1-propan-2-yl-2H-indazol-3-one?
The canonical SMILES for 6-methoxy-1-propan-2-yl-2H-indazol-3-one is COc1ccc2c(=O)[nH]n(C(C)C)c2c1.
What is the InChIKey of 6-methoxy-1-propan-2-yl-2H-indazol-3-one?
The InChIKey is RLIJXCNTAPGCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(2)13-10-6-8(15-3)4-5-9(10)11(14)12-13/h4-7H,1-3H3,(H,12,14).
What are the key properties of 6-methoxy-1-propan-2-yl-2H-indazol-3-one?
6-methoxy-1-propan-2-yl-2H-indazol-3-one has a molecular weight of 206.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-propan-2-yl-2H-indazol-3-one is sourced from PubChem (CID 105458890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).